 Entering Gaussian System, Link 0=g16
 Input=10_L-serine_conformer05_STD_M11_augccpVDZ.in
 Output=10_L-serine_conformer05_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/Gau-258616.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    258622.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=10_L-serine_conformer05_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 20:51:38 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "10_L-serine_conformer05_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.143775000000     -0.674095000000     -0.437636000000
  C                                                -0.192819000000      0.114958000000      0.470853000000
  C                                                 1.243923000000     -0.263455000000      0.087563000000
  O                                                 1.874804000000      0.673356000000     -0.628783000000
  O                                                -2.504247000000     -0.351006000000     -0.184987000000
  N                                                -0.416115000000      1.547904000000      0.283938000000
  O                                                 1.734731000000     -1.321804000000      0.371413000000
  H                                                -0.341797000000     -0.217774000000      1.503620000000
  H                                                -0.962424000000     -0.398578000000     -1.477959000000
  H                                                -0.944875000000     -1.741017000000     -0.322569000000
  H                                                 1.241903000000      1.425342000000     -0.687718000000
  H                                                -1.387261000000      1.719755000000      0.048304000000
  H                                                -0.202584000000      2.074274000000      1.121954000000
  H                                                -2.776443000000     -0.766154000000      0.640980000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          16          14          16           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  14.0030740  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           2           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   4.5500000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   7.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 20:51:38 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.143775   -0.674095   -0.437636
      2          6           0       -0.192819    0.114958    0.470853
      3          6           0        1.243923   -0.263455    0.087563
      4          8           0        1.874804    0.673356   -0.628783
      5          8           0       -2.504247   -0.351006   -0.184987
      6          7           0       -0.416115    1.547904    0.283938
      7          8           0        1.734731   -1.321804    0.371413
      8          1           0       -0.341797   -0.217774    1.503620
      9          1           0       -0.962424   -0.398578   -1.477959
     10          1           0       -0.944875   -1.741017   -0.322569
     11          1           0        1.241903    1.425342   -0.687718
     12          1           0       -1.387261    1.719755    0.048304
     13          1           0       -0.202584    2.074274    1.121954
     14          1           0       -2.776443   -0.766154    0.640980
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.533713   0.000000
     3  C    2.479024   1.534384   0.000000
     4  O    3.311190   2.407503   1.337452   0.000000
     5  O    1.420951   2.447437   3.759086   4.519111   0.000000
     6  N    2.446924   1.462235   2.464815   2.616525   2.861127
     7  O    3.059393   2.406163   1.200652   2.236219   4.384172
     8  H    2.149389   1.095223   2.126455   3.202277   2.746877
     9  H    1.091361   2.157285   2.708705   3.149604   2.012774
    10  H    1.091386   2.154008   2.672496   3.724722   2.093490
    11  H    3.187732   2.262260   1.858252   0.984642   4.176337
    12  H    2.454779   2.044655   3.295116   3.492058   2.364346
    13  H    3.297225   2.064691   2.937231   3.056664   3.589949
    14  H    1.958952   2.735035   4.089293   5.031758   0.963670
                    6          7          8          9         10
     6  N    0.000000
     7  O    3.587341   0.000000
     8  H    2.147269   2.610123   0.000000
     9  H    2.681702   3.398112   3.050849   0.000000
    10  H    3.385918   2.799578   2.453353   1.771264   0.000000
    11  H    1.925658   2.985205   3.163842   2.968202   3.865380
    12  H    1.013992   4.370619   2.639121   2.645241   3.508589
    13  H    1.012389   3.981187   2.327774   3.667683   4.146575
    14  H    3.324679   4.553252   2.640524   2.813482   2.287668
                   11         12         13         14
    11  H    0.000000
    12  H    2.746072   0.000000
    13  H    2.404697   1.637641   0.000000
    14  H    4.766046   2.908751   3.863175   0.000000
 Stoichiometry    C3H7NO3
 Framework group  C1[X(C3H7NO3)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.91D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.143775   -0.674095   -0.437636
      2          6           0       -0.192819    0.114958    0.470853
      3          6           0        1.243923   -0.263455    0.087563
      4          8           0        1.874804    0.673356   -0.628783
      5          8           0       -2.504247   -0.351006   -0.184987
      6          7           0       -0.416115    1.547904    0.283938
      7          8           0        1.734731   -1.321804    0.371413
      8          1           0       -0.341797   -0.217774    1.503620
      9          1           0       -0.962424   -0.398578   -1.477959
     10          1           0       -0.944875   -1.741017   -0.322569
     11          1           0        1.241903    1.425342   -0.687718
     12          1           0       -1.387261    1.719755    0.048304
     13          1           0       -0.202584    2.074274    1.121954
     14          1           0       -2.776443   -0.766154    0.640980
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.5014835           1.8258175           1.4640838
 Leave Link  202 at Thu Aug 12 20:51:38 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4      5      7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  21 primitive shells out of 252 were deleted.
 There are   238 symmetry adapted cartesian basis functions of A   symmetry.
 There are   224 symmetry adapted basis functions of A   symmetry.
   224 basis functions,   413 primitive gaussians,   238 cartesian basis functions
    28 alpha electrons       28 beta electrons
       nuclear repulsion energy       323.3201492639 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 20:51:40 2021, MaxMem=  5368709120 cpu:              10.2 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   224 RedAO= T EigKep=  1.79D-05  NBF=   224
 NBsUse=   224 1.00D-06 EigRej= -1.00D+00 NBFU=   224
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   238   238   238   238   238 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Thu Aug 12 20:51:40 2021, MaxMem=  5368709120 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 20:51:40 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "10_L-serine_conformer05_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 20:51:41 2021, MaxMem=  5368709120 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368591572 LenY=  5368534487
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -398.841086174019    
 DIIS: error= 2.87D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -398.841086174019     IErMin= 1 ErrMin= 2.87D-03
 ErrMax= 2.87D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.29D-02 BMatP= 1.29D-02
 IDIUse=3 WtCom= 9.71D-01 WtEn= 2.87D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.462 Goal=   None    Shift=    0.000
 GapD=    0.462 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=9.03D-03 MaxDP=3.34D-01              OVMax= 1.73D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.95D-03    CP:  9.57D-01
 E= -398.853041315124     Delta-E=       -0.011955141105 Rises=F Damp=F
 DIIS: error= 1.01D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -398.853041315124     IErMin= 2 ErrMin= 1.01D-03
 ErrMax= 1.01D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.76D-04 BMatP= 1.29D-02
 IDIUse=3 WtCom= 9.90D-01 WtEn= 1.01D-02
 Coeff-Com:  0.195D-01 0.980D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.193D-01 0.981D+00
 Gap=     0.365 Goal=   None    Shift=    0.000
 RMSDP=1.41D-03 MaxDP=5.54D-02 DE=-1.20D-02 OVMax= 7.87D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.57D-04    CP:  9.57D-01  1.12D+00
 E= -398.853419526949     Delta-E=       -0.000378211825 Rises=F Damp=F
 DIIS: error= 9.53D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -398.853419526949     IErMin= 3 ErrMin= 9.53D-04
 ErrMax= 9.53D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.10D-04 BMatP= 7.76D-04
 IDIUse=3 WtCom= 9.90D-01 WtEn= 9.53D-03
 Coeff-Com: -0.549D-01 0.506D+00 0.549D+00
 Coeff-En:   0.000D+00 0.254D+00 0.746D+00
 Coeff:     -0.544D-01 0.504D+00 0.551D+00
 Gap=     0.360 Goal=   None    Shift=    0.000
 RMSDP=2.89D-04 MaxDP=1.23D-02 DE=-3.78D-04 OVMax= 4.20D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.93D-04    CP:  9.56D-01  1.15D+00  1.11D+00
 E= -398.853889870842     Delta-E=       -0.000470343894 Rises=F Damp=F
 DIIS: error= 1.19D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -398.853889870842     IErMin= 4 ErrMin= 1.19D-04
 ErrMax= 1.19D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.30D-05 BMatP= 7.10D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.19D-03
 Coeff-Com: -0.111D-01 0.321D-01 0.104D+00 0.875D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.111D-01 0.321D-01 0.103D+00 0.876D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=1.18D-04 MaxDP=5.13D-03 DE=-4.70D-04 OVMax= 1.16D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.24D-05    CP:  9.56D-01  1.15D+00  1.18D+00  1.16D+00
 E= -398.853904499081     Delta-E=       -0.000014628238 Rises=F Damp=F
 DIIS: error= 6.60D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -398.853904499081     IErMin= 5 ErrMin= 6.60D-05
 ErrMax= 6.60D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.59D-06 BMatP= 1.30D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.348D-02-0.612D-01-0.424D-01 0.398D+00 0.702D+00
 Coeff:      0.348D-02-0.612D-01-0.424D-01 0.398D+00 0.702D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=4.25D-05 MaxDP=1.61D-03 DE=-1.46D-05 OVMax= 7.10D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.45D-05    CP:  9.55D-01  1.15D+00  1.20D+00  1.25D+00  1.24D+00
 E= -398.853908718874     Delta-E=       -0.000004219793 Rises=F Damp=F
 DIIS: error= 2.24D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -398.853908718874     IErMin= 6 ErrMin= 2.24D-05
 ErrMax= 2.24D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.48D-07 BMatP= 4.59D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.287D-02-0.316D-01-0.325D-01 0.898D-01 0.321D+00 0.650D+00
 Coeff:      0.287D-02-0.316D-01-0.325D-01 0.898D-01 0.321D+00 0.650D+00
 Gap=     0.360 Goal=   None    Shift=    0.000
 RMSDP=1.11D-05 MaxDP=4.95D-04 DE=-4.22D-06 OVMax= 1.92D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.55D-06    CP:  9.55D-01  1.15D+00  1.20D+00  1.27D+00  1.31D+00
                    CP:  1.19D+00
 E= -398.853909223280     Delta-E=       -0.000000504406 Rises=F Damp=F
 DIIS: error= 4.61D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -398.853909223280     IErMin= 7 ErrMin= 4.61D-06
 ErrMax= 4.61D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.67D-08 BMatP= 5.48D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.915D-04 0.233D-02-0.616D-03-0.392D-01-0.362D-01 0.129D+00
 Coeff-Com:  0.945D+00
 Coeff:      0.915D-04 0.233D-02-0.616D-03-0.392D-01-0.362D-01 0.129D+00
 Coeff:      0.945D+00
 Gap=     0.360 Goal=   None    Shift=    0.000
 RMSDP=6.52D-06 MaxDP=4.35D-04 DE=-5.04D-07 OVMax= 8.47D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.92D-06    CP:  9.55D-01  1.15D+00  1.20D+00  1.27D+00  1.35D+00
                    CP:  1.28D+00  1.18D+00
 E= -398.853909272858     Delta-E=       -0.000000049578 Rises=F Damp=F
 DIIS: error= 1.44D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -398.853909272858     IErMin= 8 ErrMin= 1.44D-06
 ErrMax= 1.44D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.10D-09 BMatP= 2.67D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.175D-03 0.263D-02 0.229D-02-0.146D-01-0.294D-01-0.219D-01
 Coeff-Com:  0.187D+00 0.874D+00
 Coeff:     -0.175D-03 0.263D-02 0.229D-02-0.146D-01-0.294D-01-0.219D-01
 Coeff:      0.187D+00 0.874D+00
 Gap=     0.360 Goal=   None    Shift=    0.000
 RMSDP=1.37D-06 MaxDP=4.95D-05 DE=-4.96D-08 OVMax= 2.29D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  7.08D-07    CP:  9.55D-01  1.15D+00  1.20D+00  1.27D+00  1.35D+00
                    CP:  1.29D+00  1.24D+00  1.26D+00
 E= -398.853909276397     Delta-E=       -0.000000003539 Rises=F Damp=F
 DIIS: error= 6.82D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -398.853909276397     IErMin= 9 ErrMin= 6.82D-07
 ErrMax= 6.82D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.01D-10 BMatP= 2.10D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.632D-04 0.621D-03 0.868D-03-0.116D-02-0.606D-02-0.224D-01
 Coeff-Com: -0.344D-01 0.308D+00 0.755D+00
 Coeff:     -0.632D-04 0.621D-03 0.868D-03-0.116D-02-0.606D-02-0.224D-01
 Coeff:     -0.344D-01 0.308D+00 0.755D+00
 Gap=     0.360 Goal=   None    Shift=    0.000
 RMSDP=4.05D-07 MaxDP=1.40D-05 DE=-3.54D-09 OVMax= 9.45D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.29D-07    CP:  9.55D-01  1.15D+00  1.20D+00  1.27D+00  1.35D+00
                    CP:  1.29D+00  1.25D+00  1.35D+00  1.07D+00
 E= -398.853909276947     Delta-E=       -0.000000000550 Rises=F Damp=F
 DIIS: error= 1.91D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -398.853909276947     IErMin=10 ErrMin= 1.91D-07
 ErrMax= 1.91D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.16D-11 BMatP= 4.01D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.679D-05-0.187D-03-0.705D-04 0.163D-02 0.256D-02-0.280D-02
 Coeff-Com: -0.294D-01-0.440D-01 0.152D+00 0.921D+00
 Coeff:      0.679D-05-0.187D-03-0.705D-04 0.163D-02 0.256D-02-0.280D-02
 Coeff:     -0.294D-01-0.440D-01 0.152D+00 0.921D+00
 Gap=     0.360 Goal=   None    Shift=    0.000
 RMSDP=1.81D-07 MaxDP=6.41D-06 DE=-5.50D-10 OVMax= 4.11D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  8.40D-08    CP:  9.55D-01  1.15D+00  1.20D+00  1.27D+00  1.35D+00
                    CP:  1.29D+00  1.25D+00  1.38D+00  1.17D+00  1.30D+00
 E= -398.853909277028     Delta-E=       -0.000000000081 Rises=F Damp=F
 DIIS: error= 6.99D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -398.853909277028     IErMin=11 ErrMin= 6.99D-08
 ErrMax= 6.99D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.92D-12 BMatP= 3.16D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.791D-05-0.994D-04-0.105D-03 0.439D-03 0.113D-02 0.152D-02
 Coeff-Com: -0.242D-02-0.394D-01-0.424D-01 0.178D+00 0.904D+00
 Coeff:      0.791D-05-0.994D-04-0.105D-03 0.439D-03 0.113D-02 0.152D-02
 Coeff:     -0.242D-02-0.394D-01-0.424D-01 0.178D+00 0.904D+00
 Gap=     0.360 Goal=   None    Shift=    0.000
 RMSDP=6.47D-08 MaxDP=4.15D-06 DE=-8.06D-11 OVMax= 1.67D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.96D-08    CP:  9.55D-01  1.15D+00  1.20D+00  1.27D+00  1.35D+00
                    CP:  1.29D+00  1.25D+00  1.38D+00  1.20D+00  1.42D+00
                    CP:  1.15D+00
 E= -398.853909277050     Delta-E=       -0.000000000022 Rises=F Damp=F
 DIIS: error= 2.36D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -398.853909277050     IErMin=12 ErrMin= 2.36D-08
 ErrMax= 2.36D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.12D-13 BMatP= 2.92D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.957D-06 0.143D-06-0.167D-04-0.101D-03-0.527D-04 0.648D-03
 Coeff-Com:  0.294D-02-0.309D-02-0.264D-01-0.725D-01 0.206D+00 0.893D+00
 Coeff:      0.957D-06 0.143D-06-0.167D-04-0.101D-03-0.527D-04 0.648D-03
 Coeff:      0.294D-02-0.309D-02-0.264D-01-0.725D-01 0.206D+00 0.893D+00
 Gap=     0.360 Goal=   None    Shift=    0.000
 RMSDP=1.87D-08 MaxDP=6.44D-07 DE=-2.17D-11 OVMax= 7.26D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  9.02D-09    CP:  9.55D-01  1.15D+00  1.20D+00  1.27D+00  1.35D+00
                    CP:  1.29D+00  1.25D+00  1.38D+00  1.20D+00  1.44D+00
                    CP:  1.25D+00  1.25D+00
 E= -398.853909277023     Delta-E=        0.000000000027 Rises=F Damp=F
 DIIS: error= 1.03D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -398.853909277050     IErMin=13 ErrMin= 1.03D-08
 ErrMax= 1.03D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.25D-14 BMatP= 4.12D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.818D-06 0.122D-04 0.103D-04-0.709D-04-0.143D-03-0.827D-04
 Coeff-Com:  0.790D-03 0.435D-02 0.905D-03-0.352D-01-0.787D-01 0.139D+00
 Coeff-Com:  0.969D+00
 Coeff:     -0.818D-06 0.122D-04 0.103D-04-0.709D-04-0.143D-03-0.827D-04
 Coeff:      0.790D-03 0.435D-02 0.905D-03-0.352D-01-0.787D-01 0.139D+00
 Coeff:      0.969D+00
 Gap=     0.360 Goal=   None    Shift=    0.000
 RMSDP=8.12D-09 MaxDP=4.61D-07 DE= 2.72D-11 OVMax= 3.43D-07

 SCF Done:  E(RM11) =  -398.853909277     A.U. after   13 cycles
            NFock= 13  Conv=0.81D-08     -V/T= 2.0070
 KE= 3.960936841671D+02 PE=-1.581146699948D+03 EE= 4.628789572396D+02
 Leave Link  502 at Thu Aug 12 20:52:42 2021, MaxMem=  5368709120 cpu:             489.7 elap:              61.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   224
 NBasis=   224 NAE=    28 NBE=    28 NFC=     0 NFV=     0
 NROrb=    224 NOA=    28 NOB=    28 NVA=   196 NVB=   196

 **** Warning!!: The largest alpha MO coefficient is  0.43619205D+02

 Leave Link  801 at Thu Aug 12 20:52:42 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4327 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 9.15D-14 8.33D-09 XBig12= 1.00D+00 1.98D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 9.15D-14 8.33D-09 XBig12= 1.66D-01 4.87D-02.
     11 vectors produced by pass  2 Test12= 9.15D-14 8.33D-09 XBig12= 2.12D-02 3.26D-02.
     11 vectors produced by pass  3 Test12= 9.15D-14 8.33D-09 XBig12= 1.91D-03 7.43D-03.
     11 vectors produced by pass  4 Test12= 9.15D-14 8.33D-09 XBig12= 7.84D-05 1.09D-03.
     11 vectors produced by pass  5 Test12= 9.15D-14 8.33D-09 XBig12= 2.78D-06 1.96D-04.
     11 vectors produced by pass  6 Test12= 9.15D-14 8.33D-09 XBig12= 9.34D-08 3.82D-05.
     11 vectors produced by pass  7 Test12= 9.15D-14 8.33D-09 XBig12= 2.54D-09 5.59D-06.
     11 vectors produced by pass  8 Test12= 9.15D-14 8.33D-09 XBig12= 5.45D-11 1.20D-06.
     10 vectors produced by pass  9 Test12= 9.15D-14 8.33D-09 XBig12= 9.12D-13 1.67D-07.
      3 vectors produced by pass 10 Test12= 9.15D-14 8.33D-09 XBig12= 1.42D-14 1.45D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   112 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.652613D+02
      2 -0.181358D+01  0.627572D+02
      3 -0.204236D+01 -0.277160D+01  0.515212D+02
 Isotropic polarizability for W=    0.088559       59.85 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.300695D+02 -0.132483D+02 -0.817355D+01
      2   0.193282D+02  0.103266D+02  0.361752D+01
      3   0.107413D+02  0.292169D+01  0.455603D+01
      4  -0.106842D+02  0.798099D+01 -0.152165D+02
      5  -0.742842D+00 -0.162816D+02 -0.163439D+02
      6  -0.697673D+01  0.970970D+01  0.563998D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.262270D+01  0.925208D+00 -0.108665D+01
      2  -0.243687D+01 -0.562248D+01 -0.103380D+02
      3   0.667772D+01 -0.184939D+01  0.372793D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.106512D+01  0.609218D+01 -0.271830D+01
      2  -0.743070D+01 -0.823978D+01 -0.270852D+02
      3   0.256409D+01  0.113472D+02  0.930490D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.121355D+01  0.210601D+00 -0.141704D+01
      2   0.210601D+00  0.111537D+01  0.107960D+01
      3  -0.141704D+01  0.107960D+01  0.826335D+00
 OR G Eigenvalues:    -2.0934     0.5526     2.2689  Iso=    -0.2427
 Eigenvectors:
   (1)   0.843018  -0.220414   0.490651
   (2)   0.471954   0.740695  -0.478153
   (3)  -0.258031   0.634657   0.728444
 w=    0.088559 a.u., Optical Rotation Beta=     -0.2427 au.
 Molar Mass =    105.0932 grams/mole, [Alpha] ( 5145.0 A) =     -117.11 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   25200 ScalPx= 8.31D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   25200 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.61D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.52D-14 2.78D-09 XBig12= 1.00D+00 3.74D-01.
     30 vectors produced by pass  1 Test12= 1.52D-14 2.78D-09 XBig12= 2.58D-02 3.47D-02.
     30 vectors produced by pass  2 Test12= 1.52D-14 2.78D-09 XBig12= 1.05D-03 3.92D-03.
     30 vectors produced by pass  3 Test12= 1.52D-14 2.78D-09 XBig12= 1.52D-05 7.03D-04.
     30 vectors produced by pass  4 Test12= 1.52D-14 2.78D-09 XBig12= 2.30D-07 5.14D-05.
     30 vectors produced by pass  5 Test12= 1.52D-14 2.78D-09 XBig12= 2.39D-09 4.95D-06.
     30 vectors produced by pass  6 Test12= 1.52D-14 2.78D-09 XBig12= 1.90D-11 4.03D-07.
     30 vectors produced by pass  7 Test12= 1.52D-14 2.78D-09 XBig12= 1.29D-13 4.50D-08.
      1 vectors produced by pass  8 Test12= 1.52D-14 2.78D-09 XBig12= 8.26D-16 4.12D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   241 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   25200 ScalPx= 2.13D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   25200 ScalPx= 2.13D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   25200 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.82D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.652613D+02 -0.181358D+01 -0.204236D+01
      2  -0.181358D+01  0.627572D+02 -0.277160D+01
      3  -0.204236D+01 -0.277160D+01  0.515212D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.262270D+01  0.925208D+00 -0.108665D+01
      2  -0.243687D+01 -0.562248D+01 -0.103380D+02
      3   0.667772D+01 -0.184939D+01  0.372793D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.300695D+02 -0.132483D+02 -0.817355D+01
      2   0.193282D+02  0.103266D+02  0.361752D+01
      3   0.107413D+02  0.292169D+01  0.455603D+01
      4  -0.106842D+02  0.798099D+01 -0.152165D+02
      5  -0.742842D+00 -0.162816D+02 -0.163439D+02
      6  -0.697673D+01  0.970970D+01  0.563998D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.947955D+00 -0.137612D+01 -0.103985D+01 -0.361885D+01 -0.205674D+01
      2  -0.137612D+01 -0.290533D+01 -0.548623D+00 -0.205674D+01  0.528561D+01
      3  -0.103985D+01 -0.548623D+00 -0.260287D+01 -0.676547D+00 -0.349304D+00
                 6             7             8             9            10 
      1  -0.676547D+00 -0.300472D+01 -0.533827D+00 -0.184240D+01  0.139258D+00
      2  -0.349304D+00 -0.533827D+00 -0.119394D+01 -0.161493D+01  0.200677D+01
      3  -0.206664D+01 -0.184240D+01 -0.161493D+01  0.597938D+01  0.204264D+01
                11            12            13            14            15 
      1   0.200677D+01  0.204264D+01  0.334363D+01  0.130061D+01  0.343575D+00
      2   0.157816D+01  0.217412D+00  0.130061D+01 -0.227280D+01 -0.519686D+00
      3   0.217412D+00  0.125891D+01  0.343575D+00 -0.519686D+00  0.287056D+01
                16            17            18            19            20 
      1   0.302165D+01 -0.813697D-01  0.182417D+01  0.145581D+01 -0.708678D-01
      2  -0.813697D-01 -0.803942D-01  0.347657D+01 -0.708678D-01 -0.171798D+01
      3   0.182417D+01  0.347657D+01 -0.605827D+01 -0.135440D+01  0.115873D+01
                21            22            23            24            25 
      1  -0.135440D+01  0.178282D+01 -0.254447D+01  0.145243D+01 -0.688074D-01
      2   0.115873D+01 -0.254447D+01  0.420732D+01 -0.659104D+00  0.166297D+01
      3   0.328385D+00  0.145243D+01 -0.659104D+00  0.763673D-01 -0.212536D+00
                26            27            28            29            30 
      1   0.166297D+01 -0.212536D+00  0.622124D+01  0.889634D+00 -0.212438D+01
      2  -0.721552D+00 -0.476813D+00  0.889634D+00  0.282645D+01 -0.499343D+00
      3  -0.476813D+00  0.542133D+00 -0.212438D+01 -0.499343D+00  0.128584D+01
                31            32            33            34            35 
      1  -0.152378D+01  0.335497D+01  0.424406D+00 -0.175134D+01 -0.818804D+00
      2   0.335497D+01  0.503986D+00 -0.690544D+00 -0.818804D+00 -0.380881D+00
      3   0.424406D+00 -0.690544D+00  0.139911D+00  0.150196D+01  0.137529D+01
                36            37            38            39            40 
      1   0.150196D+01 -0.720552D+01  0.502528D+00 -0.145685D+01  0.240589D+01
      2   0.137529D+01  0.502528D+00  0.925786D-01 -0.402375D+00 -0.733189D+00
      3  -0.269640D+01 -0.145685D+01 -0.402375D+00  0.116417D+01 -0.716316D+00
                41            42            43            44            45 
      1  -0.733189D+00 -0.716316D+00 -0.278576D+01 -0.673814D+00  0.445394D+00
      2   0.700090D+00 -0.660735D+00 -0.673814D+00 -0.113878D+01  0.140479D+01
      3  -0.660735D+00  0.190193D+01  0.445394D+00  0.140479D+01 -0.387148D+01
                46            47            48            49            50 
      1   0.411668D+01 -0.510955D+00 -0.703259D-03 -0.480697D+00 -0.319890D+00
      2  -0.510955D+00  0.157326D+00 -0.974729D-02 -0.319890D+00  0.350969D+01
      3  -0.703259D-03 -0.974729D-02 -0.127680D+01 -0.374630D+00 -0.142235D+01
                51            52            53            54            55 
      1  -0.374630D+00  0.101499D+00 -0.386773D+00 -0.124640D+01  0.474076D+01
      2  -0.142235D+01 -0.386773D+00 -0.316177D+01 -0.202826D+01 -0.386406D+01
      3  -0.207594D+01 -0.124640D+01 -0.202826D+01 -0.215895D+01  0.147358D+01
                56            57            58            59            60 
      1  -0.386406D+01  0.147358D+01 -0.496654D+01  0.356055D+01 -0.786937D+00
      2   0.323926D+01 -0.946521D+00  0.356055D+01 -0.105188D+02  0.163729D+01
      3  -0.946521D+00  0.968408D+00 -0.786937D+00  0.163729D+01 -0.225592D+01
                61            62            63            64            65 
      1   0.113408D+01 -0.672754D+00  0.195187D+01 -0.515002D+00 -0.766508D+00
      2  -0.672754D+00  0.122170D+01 -0.281809D+01 -0.766508D+00 -0.573994D+00
      3   0.195187D+01 -0.281809D+01  0.209371D+01  0.117011D+01  0.938365D-01
                66            67            68            69            70 
      1   0.117011D+01 -0.122198D+01 -0.571749D+00  0.203290D+00  0.124968D+01
      2   0.938365D-01 -0.571749D+00 -0.126084D+01  0.168912D+01  0.188000D+00
      3  -0.114057D+01  0.203290D+00  0.168912D+01 -0.206004D+01 -0.931646D+00
                71            72            73            74            75 
      1   0.188000D+00 -0.931646D+00  0.863923D-01  0.383393D+00 -0.974863D+00
      2   0.225834D+01 -0.205104D+01  0.383393D+00  0.353902D+00  0.650584D-01
      3  -0.205104D+01  0.816392D+01 -0.974863D+00  0.650584D-01  0.104428D+01
                76            77            78            79            80 
      1   0.118198D+01  0.390281D+00  0.732190D-01 -0.147461D+01 -0.891355D-01
      2   0.390281D+00  0.913900D-01 -0.103146D+01 -0.891355D-01 -0.121353D+01
      3   0.732190D-01 -0.103146D+01  0.163279D+01  0.139681D+00  0.241118D+00
                81            82            83            84            85 
      1   0.139681D+00  0.837968D+00 -0.102137D+01  0.188074D+00 -0.139735D+01
      2   0.241118D+00 -0.102137D+01  0.990205D+00  0.201814D+00  0.488120D+00
      3  -0.802633D+01  0.188074D+00  0.201814D+00  0.462279D+00  0.560139D-01
                86            87            88            89            90 
      1   0.488120D+00  0.560139D-01  0.888626D+00  0.859226D-01  0.313552D+00
      2  -0.826668D+01 -0.567444D+00  0.859226D-01  0.522529D+00 -0.903541D+00
      3  -0.567444D+00 -0.946272D+00  0.313552D+00 -0.903541D+00 -0.463198D+00
                91            92            93            94            95 
      1  -0.274359D+01  0.162211D+01  0.990187D+00  0.335629D+01 -0.557690D+00
      2   0.162211D+01 -0.119344D+01  0.636109D-02 -0.557690D+00  0.377729D+01
      3   0.990187D+00  0.636109D-02 -0.323209D+00 -0.945233D+00 -0.832326D+00
                96            97            98            99           100 
      1  -0.945233D+00  0.177484D+00 -0.117542D+00  0.203939D+00 -0.615948D+01
      2  -0.832326D+00 -0.117542D+00 -0.864218D+00  0.760186D+00  0.208908D+01
      3   0.134332D+01  0.203939D+00  0.760186D+00 -0.131330D+01 -0.676409D+00
               101           102           103           104           105 
      1   0.208908D+01 -0.676409D+00  0.188734D+01 -0.145676D+01 -0.890781D-01
      2  -0.293915D+01 -0.939538D-01 -0.145676D+01  0.128744D+01  0.248915D-01
      3  -0.939538D-01 -0.103214D+01 -0.890781D-01  0.248915D-01  0.491822D+00
               106           107           108           109           110 
      1  -0.157017D+01  0.196564D+00 -0.276908D+00  0.434580D+00  0.717041D+00
      2   0.196564D+00 -0.468687D+00  0.530438D+00  0.717041D+00  0.810247D+00
      3  -0.276908D+00  0.530438D+00 -0.325089D+00  0.467721D+00  0.374033D+00
               111           112           113           114           115 
      1   0.467721D+00  0.754219D+00  0.175896D+00  0.696999D-01  0.802561D+00
      2   0.374033D+00  0.175896D+00  0.398372D+01  0.235304D+01  0.341746D+00
      3   0.135813D+01  0.696999D-01  0.235304D+01  0.273004D+01  0.649382D+00
               116           117           118           119           120 
      1   0.341746D+00  0.649382D+00 -0.235706D+01 -0.600677D+00  0.129515D+01
      2   0.379519D+01  0.342706D+01 -0.600677D+00 -0.718231D+00  0.383319D+00
      3   0.342706D+01  0.392658D+01  0.129515D+01  0.383319D+00 -0.149482D+01
               121           122           123           124           125 
      1  -0.150298D+01 -0.102995D+01  0.966104D+00  0.327984D+01  0.898813D+00
      2  -0.102995D+01 -0.102736D+01  0.102860D+01  0.898813D+00  0.142599D+01
      3   0.966104D+00  0.102860D+01 -0.178194D+01 -0.252005D+01 -0.132277D+01
               126 
      1  -0.252005D+01
      2  -0.132277D+01
      3   0.420731D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.721695D+00  0.122190D+01 -0.147591D+01 -0.950950D+00 -0.587189D+01
      2   0.896106D+00  0.158553D+00  0.212717D+01  0.125805D+01 -0.894703D+00
      3  -0.249433D+01  0.104331D+00  0.531186D+00  0.454750D+01  0.804667D+01
                 6             7             8             9            10 
      1  -0.396662D+01 -0.869401D+00  0.123747D+01  0.627113D+01  0.903101D+00
      2   0.166883D+01 -0.208824D+01  0.504063D+00 -0.713734D+01  0.672377D+01
      3   0.918775D+00  0.115460D+01 -0.323725D+00 -0.180114D+00 -0.576013D+00
                11            12            13            14            15 
      1   0.262465D+00 -0.354020D+00 -0.238416D+01 -0.102266D+01  0.120234D+01
      2   0.245077D+00  0.340038D+01 -0.191030D+01 -0.173878D+00 -0.803738D+00
      3  -0.627117D+01 -0.149032D+01 -0.651879D-01 -0.226218D+01  0.184964D+01
                16            17            18            19            20 
      1   0.278856D+00  0.374769D+01  0.386705D+00  0.153558D+01  0.121012D+01
      2  -0.516350D+01  0.265891D-01  0.133308D+01 -0.100180D+02 -0.900416D+00
      3  -0.863362D+00 -0.148252D+00  0.295398D+00  0.655882D+01  0.157840D+01
                21            22            23            24            25 
      1  -0.283834D+01  0.264633D+01  0.605800D+01  0.442020D+01  0.693030D+00
      2  -0.347222D+01 -0.383026D+01 -0.387089D+00  0.384837D+01 -0.142850D+02
      3   0.477224D+00  0.541430D+01 -0.983689D+01 -0.207432D+01  0.311098D+01
                26            27            28            29            30 
      1   0.599085D+01 -0.643137D+01  0.249796D+01 -0.451718D+01 -0.242363D+01
      2   0.170155D+01  0.489181D+01  0.376281D+01 -0.286157D+01  0.598283D+01
      3  -0.165922D+01 -0.114625D+01  0.683989D+01 -0.129131D+02 -0.471389D+00
                31            32            33            34            35 
      1  -0.455067D+01  0.146045D+01 -0.229918D+01 -0.132586D+01  0.295063D+01
      2  -0.107575D+01  0.639592D+00  0.205891D-01  0.321530D+01  0.156525D+01
      3  -0.872112D+01  0.400543D+01  0.315893D+01 -0.195937D+01  0.152272D+01
                36            37            38            39            40 
      1   0.205090D+01 -0.542510D+00 -0.495291D-01 -0.340006D-01  0.144163D+01
      2  -0.600193D+01  0.150998D+01  0.201117D+01  0.273396D+01  0.196332D+01
      3  -0.175779D+01  0.693607D+01 -0.709273D+01 -0.181415D+01  0.121577D+01
                41            42            43            44            45 
      1   0.520616D+00 -0.197020D+01 -0.977604D+00  0.195535D+01 -0.224673D+01
      2   0.171841D+01 -0.523224D+01 -0.711651D+01 -0.406907D+01  0.113702D+02
      3   0.446677D+01 -0.220033D+01 -0.162688D+01 -0.329505D+01  0.422601D+01
                46            47            48            49            50 
      1  -0.150332D+01  0.418325D+00  0.235944D+01  0.104885D+01  0.684281D+01
      2  -0.542108D+00 -0.165249D+00  0.339318D+01  0.207503D+00  0.506913D+00
      3   0.112143D+02 -0.717453D+01  0.125684D+01  0.370306D+01  0.105818D+01
                51            52            53            54            55 
      1  -0.170701D+01  0.179347D+01  0.895536D+01  0.575804D+01 -0.683546D+00
      2   0.852355D+00 -0.333207D+01  0.642070D+00  0.141167D+00  0.160069D+01
      3  -0.127182D+01  0.164577D+01 -0.802540D+00 -0.288959D+01 -0.820987D+00
                56            57            58            59            60 
      1   0.123548D+01  0.414032D+01 -0.149988D+00 -0.271700D+01 -0.872542D+01
      2  -0.316139D+00  0.601340D+01  0.383019D+01  0.193576D+01 -0.553973D+01
      3  -0.706645D+01  0.984496D+00  0.467711D+01  0.164869D+02 -0.149755D+01
                61            62            63            64            65 
      1  -0.229558D+00  0.217577D+01  0.222664D+01 -0.125597D+00 -0.556814D+00
      2   0.215031D+01 -0.440605D+01  0.181171D+01 -0.487935D-02  0.125410D+00
      3  -0.796056D+00 -0.126443D+01  0.455083D+01 -0.747143D+00 -0.458328D+00
                66            67            68            69            70 
      1  -0.169483D+00  0.216371D+00 -0.142501D+01 -0.396550D+00 -0.199983D+00
      2   0.638392D+00  0.809260D+00  0.434149D-02  0.706691D+00 -0.286352D+01
      3   0.329441D+00  0.199403D+01 -0.212628D+00  0.318357D-01 -0.845789D+00
                71            72            73            74            75 
      1   0.370246D+01  0.881155D+00 -0.146301D+01 -0.674084D+00  0.604373D+00
      2   0.473409D+00 -0.129561D+01  0.195147D+01  0.287102D+00 -0.970043D+00
      3   0.948827D+00 -0.229838D+00  0.164102D+00 -0.762030D+00  0.663627D+00
                76            77            78            79            80 
      1  -0.439742D+00 -0.122394D+01  0.112511D+01  0.227293D+00  0.366160D+01
      2   0.108068D+01  0.156467D+01 -0.185331D+01 -0.409125D+01 -0.525121D+00
      3   0.379152D+00 -0.111086D+00 -0.120294D+01  0.674797D+00 -0.993161D+00
                81            82            83            84            85 
      1  -0.657025D+01  0.137944D+01 -0.388386D+00  0.645245D+00 -0.261483D+00
      2   0.878195D+01  0.359582D+00 -0.555858D+00  0.459488D+00 -0.887548D+00
      3   0.940429D-02 -0.369615D+01  0.150734D+01 -0.365835D+00  0.507264D+01
                86            87            88            89            90 
      1   0.451895D+01 -0.325100D+01  0.433824D+00 -0.392001D+00  0.761704D-01
      2   0.132718D+01  0.816968D+00 -0.867923D+00  0.875330D+00  0.636385D+00
      3  -0.911895D+01 -0.699158D+00 -0.123033D+01  0.352905D+00 -0.126534D+01
                91            92            93            94            95 
      1  -0.377156D+01  0.379075D+01  0.312043D+00  0.425786D+01 -0.296083D+01
      2  -0.376036D+01  0.260062D+01 -0.155269D+01  0.187049D+01 -0.299690D+01
      3  -0.877891D+01  0.846623D+01  0.153342D+01  0.103864D+02 -0.105361D+02
                96            97            98            99           100 
      1  -0.204050D+01  0.373952D-01  0.768311D+00  0.112792D+01  0.240023D+01
      2   0.190812D+01 -0.190614D+01  0.167031D+01  0.351934D-01  0.888395D+00
      3  -0.687577D+00  0.929575D+00 -0.445765D-01 -0.696924D+00 -0.134096D+02
               101           102           103           104           105 
      1  -0.881384D+00  0.256316D+01 -0.423284D-01  0.763644D+00 -0.974436D+00
      2  -0.427751D+00  0.206945D+01 -0.178311D-01  0.437174D+00 -0.788259D+00
      3   0.775575D-01 -0.158793D+01  0.240074D+01 -0.204682D+01 -0.573708D+00
               106           107           108           109           110 
      1   0.293915D+00 -0.311944D+00  0.805572D+00 -0.276570D+00 -0.963879D+00
      2  -0.410591D+00 -0.464126D+00  0.370683D+00 -0.356347D+00 -0.117629D+00
      3  -0.358946D+01  0.988446D-02  0.186507D+00  0.858951D+00  0.801616D+00
               111           112           113           114           115 
      1  -0.288939D+01  0.562094D-01 -0.334575D+01 -0.592019D+01 -0.106268D+01
      2  -0.215719D+00 -0.590890D+00 -0.776843D+00 -0.855951D+00 -0.198856D+01
      3   0.308527D+00  0.271585D+01  0.121313D+01  0.600515D+00  0.196999D+01
               116           117           118           119           120 
      1  -0.424941D+01 -0.752928D+01  0.371510D+00 -0.107788D+00 -0.439819D+00
      2  -0.103206D+01 -0.902556D+00 -0.403117D+01 -0.146944D+01  0.515357D+01
      3   0.151296D+01  0.229227D+01 -0.114527D+01 -0.217514D+01  0.103325D+01
               121           122           123           124           125 
      1   0.132096D+00 -0.211291D+00 -0.125769D+01  0.353225D-02  0.118591D+01
      2  -0.270691D+01 -0.290462D+01  0.525129D+01  0.611747D+01  0.394452D+01
      3  -0.109005D+01 -0.205911D+01  0.262644D+01  0.142553D+01  0.418365D+01
               126 
      1   0.180501D+01
      2  -0.130135D+02
      3  -0.339457D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.189858D+02 -0.174573D+01 -0.179646D+01  0.447264D+01  0.158945D+02
      2   0.896524D+01  0.443731D+01 -0.153669D+01 -0.358781D+00 -0.218542D+02
      3   0.100205D+02 -0.269159D+01  0.333315D+01 -0.411386D+01  0.595973D+01
      4   0.100094D+01  0.593410D+00  0.149204D+01  0.816427D+01 -0.689171D+01
      5  -0.606127D+00  0.545659D+00 -0.107019D+01  0.158199D+01  0.997058D+00
      6   0.285731D+01  0.238667D+01  0.245575D+01  0.158222D+01 -0.412521D+00
                 6             7             8             9            10 
      1  -0.582710D+00  0.362824D+01 -0.796422D+00  0.129811D+02 -0.421158D+01
      2  -0.234377D+01 -0.235105D+01 -0.923131D+00  0.427595D+01  0.402187D+01
      3   0.292648D+01 -0.127719D+01  0.171955D+01 -0.172570D+02  0.189719D+00
      4   0.714983D+00  0.440723D+01  0.292513D+01  0.583990D+01 -0.414998D+01
      5   0.335672D+01  0.498936D+01  0.268525D+01 -0.109176D+02  0.649284D+00
      6   0.279062D+01  0.262142D+01  0.160815D+01 -0.230733D+01 -0.115083D+01
                11            12            13            14            15 
      1  -0.206265D+01 -0.410015D+00  0.965260D+00  0.501266D+01 -0.521803D+01
      2   0.387166D+01 -0.142270D+01  0.118300D+01 -0.429181D+01 -0.352443D+01
      3  -0.180901D+01  0.183271D+01 -0.214826D+01 -0.720857D+00  0.874246D+01
      4   0.253848D+01 -0.297122D+01 -0.800706D+01 -0.136793D+00  0.169848D+01
      5  -0.101121D+01  0.194041D+01  0.447399D-01  0.160421D+01 -0.196997D+01
      6  -0.231933D+01  0.139437D+00  0.226723D+01  0.121952D+01 -0.938273D+01
                16            17            18            19            20 
      1  -0.382695D+01 -0.375855D+01  0.336774D+01 -0.173494D+01 -0.544413D+01
      2  -0.133781D+01 -0.443251D+01  0.123471D+02 -0.210467D+01  0.848675D+01
      3   0.516476D+01  0.819106D+01 -0.157149D+02  0.383961D+01 -0.304262D+01
      4  -0.287214D+01 -0.242498D+01 -0.439979D+01  0.708997D+01 -0.154192D+02
      5  -0.184894D+01 -0.253412D+01  0.777839D+01 -0.155674D+01  0.665259D+01
      6  -0.308268D+01  0.335341D+00  0.561113D+01  0.124042D+01  0.380592D+00
                21            22            23            24            25 
      1  -0.153580D+01  0.448319D+01 -0.107236D+01  0.916377D+00 -0.322389D+01
      2  -0.322893D+01 -0.128453D+01 -0.114505D+02 -0.544790D+01  0.913176D+00
      3   0.476473D+01 -0.319866D+01  0.125229D+02  0.453152D+01  0.231071D+01
      4   0.559371D+01 -0.218008D+02  0.204673D+02 -0.303622D+01  0.926049D+01
      5  -0.843565D+01  0.101287D+02 -0.393707D+01  0.718100D+01 -0.200152D+01
      6   0.313487D+01 -0.118586D+01  0.416179D+01 -0.769960D+01  0.992811D+00
                26            27            28            29            30 
      1   0.320938D+01 -0.417271D+01  0.297518D+02  0.369965D+01 -0.491471D+01
      2   0.268414D+01 -0.217887D+01 -0.182667D+02  0.759749D+00  0.733744D+01
      3  -0.589352D+01  0.635158D+01 -0.114851D+02 -0.445940D+01 -0.242272D+01
      4   0.149138D+01  0.283527D+01  0.164408D+02  0.163430D+02 -0.545390D+01
      5   0.185495D+01  0.298237D+01 -0.104898D+02 -0.405064D+01  0.138706D+02
      6   0.351806D+01  0.507406D+01 -0.290015D+01 -0.195321D+01  0.420728D+01
                31            32            33            34            35 
      1  -0.511932D+01  0.666680D+01  0.205692D+01 -0.619353D-01 -0.300232D+00
      2   0.697097D+01  0.640016D+00 -0.159326D+00  0.215572D+01  0.543499D+00
      3  -0.185165D+01 -0.730682D+01 -0.189760D+01 -0.209378D+01 -0.243268D+00
      4   0.144216D+02  0.898462D+01 -0.212370D+01 -0.494875D+01 -0.425537D+01
      5  -0.159237D+01 -0.380477D+01  0.148652D+01  0.133599D+02  0.573632D+01
      6  -0.788201D+00 -0.214259D+01  0.744702D+01  0.264816D+01  0.592665D+01
                36            37            38            39            40 
      1   0.559453D+00  0.483188D+02 -0.235233D+01  0.697636D+01 -0.122569D+02
      2  -0.958601D+01 -0.248944D+02  0.913559D+00 -0.356539D+01  0.790644D+01
      3   0.902656D+01 -0.234244D+02  0.143877D+01 -0.341097D+01  0.435051D+01
      4   0.660230D+01  0.207632D+01  0.992955D+01  0.452431D+01  0.704389D+01
      5  -0.139371D+02  0.100250D+02  0.325836D+01  0.481139D+01  0.346684D+01
      6  -0.427469D+01  0.158554D+01  0.515557D+00 -0.102655D+01  0.241746D+01
                41            42            43            44            45 
      1   0.121532D+01  0.283451D+01  0.105234D+02  0.211284D+01 -0.375183D+01
      2   0.398453D+01 -0.852053D+00 -0.723237D+01 -0.437320D+00 -0.179246D+01
      3  -0.519985D+01 -0.198246D+01 -0.329104D+01 -0.167552D+01  0.554430D+01
      4  -0.326056D+01  0.489949D+01  0.624320D+01  0.599075D+01 -0.805272D+01
      5   0.485494D+01 -0.888759D+01  0.120793D+01 -0.770419D+01  0.201877D+02
      6   0.181678D+01  0.127885D+01 -0.183543D+01  0.153185D+01  0.563062D+01
                46            47            48            49            50 
      1   0.277241D+00  0.338218D+01 -0.246150D+01  0.168245D+01 -0.125694D+02
      2  -0.279377D+01 -0.120586D+01  0.268781D+01 -0.136829D+01  0.231650D+02
      3   0.251653D+01 -0.217631D+01 -0.226307D+00 -0.314157D+00 -0.105956D+02
      4   0.132246D+02 -0.192436D+01  0.100316D+01  0.382051D+01 -0.171164D+01
      5  -0.147122D+01 -0.639784D+00  0.596421D+01 -0.596428D+00 -0.166105D+00
      6   0.157167D+01 -0.687020D+00 -0.530879D+01 -0.371181D+01 -0.109272D+02
                51            52            53            54            55 
      1   0.757085D+01 -0.300415D+00  0.918166D+01  0.513272D+01  0.217116D+02
      2  -0.589477D+01  0.211031D+01 -0.825152D+01 -0.880396D+01 -0.745388D+01
      3  -0.167608D+01 -0.180989D+01 -0.930144D+00  0.367124D+01 -0.142577D+02
      4  -0.138330D+01  0.236835D+01  0.121543D+01 -0.199358D+01 -0.237345D+02
      5   0.102868D+01  0.463637D+01  0.556091D+00 -0.110738D+01  0.877046D+01
      6  -0.208845D+00 -0.418835D+01 -0.673691D+01 -0.131633D+02 -0.258257D+01
                56            57            58            59            60 
      1  -0.881957D+01  0.313674D+01 -0.826484D+01 -0.913828D+01  0.152860D+01
      2  -0.236308D+01 -0.230970D+01 -0.236464D+01  0.299510D+02 -0.319249D+00
      3   0.111826D+02 -0.827034D+00  0.106295D+02 -0.208127D+02 -0.120935D+01
      4   0.249894D+02 -0.543396D+01  0.285152D+02 -0.437125D+02  0.697231D+01
      5  -0.623033D+01  0.123447D+02 -0.564234D+01  0.897000D+01 -0.125185D+02
      6   0.183420D+01 -0.562308D+01  0.394496D+01 -0.509820D+01  0.130430D+02
                61            62            63            64            65 
      1   0.368188D+01  0.144903D+01 -0.819442D+00  0.580626D+00  0.460781D+00
      2  -0.227250D+01 -0.125740D+01 -0.145744D+01 -0.405021D+01 -0.124837D+01
      3  -0.140938D+01 -0.191632D+00  0.227688D+01  0.346959D+01  0.787588D+00
      4  -0.454128D+01  0.461069D+01 -0.120563D+02  0.121476D+01  0.220305D+01
      5   0.133318D+02 -0.119289D+02  0.930268D+01 -0.260280D+01 -0.159008D+01
      6  -0.612146D+01  0.114492D+02 -0.563119D+01 -0.161428D+01 -0.555370D+00
                66            67            68            69            70 
      1  -0.171617D+00 -0.163870D+00 -0.430137D+01  0.386489D+01  0.124789D+01
      2   0.198324D+01 -0.110831D+01 -0.514009D+00  0.263361D+01  0.224792D+01
      3  -0.181163D+01  0.127218D+01  0.481538D+01 -0.649850D+01 -0.349581D+01
      4  -0.105435D+01  0.373606D+01  0.183886D+01 -0.184516D+01 -0.126755D+01
      5   0.703914D+01 -0.197788D+01 -0.184511D+01  0.260280D+01  0.606012D+01
      6   0.602293D+00 -0.138093D+01 -0.505635D+01  0.878027D+01  0.167593D+01
                71            72            73            74            75 
      1   0.301110D+01 -0.165135D+02  0.520664D+00 -0.620247D+00  0.395392D+01
      2   0.483396D+01 -0.171990D+02 -0.354459D+01 -0.191247D-01 -0.819953D-01
      3  -0.784506D+01  0.337126D+02  0.302393D+01  0.639371D+00 -0.387192D+01
      4  -0.152760D+01  0.233434D+01 -0.744310D+00  0.325400D+00  0.707681D+00
      5   0.176567D+01 -0.712194D+01  0.839808D+00 -0.479293D+00  0.418334D+01
      6   0.642713D+01 -0.800861D+01  0.238189D-01 -0.845549D+00 -0.689163D+00
                76            77            78            79            80 
      1  -0.238367D+01 -0.444294D+01  0.194599D+01  0.471209D+01  0.209347D+00
      2   0.110317D+01  0.189312D+01  0.260480D+01 -0.181925D+01  0.186677D+01
      3   0.128050D+01  0.254982D+01 -0.455079D+01 -0.289283D+01 -0.207611D+01
      4  -0.674404D+00 -0.704210D+00  0.248514D+01  0.138852D+01  0.228068D+01
      5  -0.662590D+00  0.199918D+01 -0.317071D+01  0.438734D+01 -0.509202D+00
      6   0.175175D-01 -0.932147D+00  0.385549D+01 -0.160842D+00  0.438400D+01
                81            82            83            84            85 
      1  -0.176296D+02 -0.158888D+01  0.478369D+01  0.145590D+00  0.549951D+01
      2  -0.130932D+02  0.411754D+01 -0.437431D+01  0.216138D+00 -0.414691D+01
      3   0.307228D+02 -0.252866D+01 -0.409385D+00 -0.361728D+00 -0.135260D+01
      4  -0.211515D+01  0.728172D+00  0.387989D+01 -0.123710D+00  0.432497D+01
      5   0.146023D+02 -0.503138D+00  0.735480D+00  0.564329D+00  0.911370D+00
      6   0.549456D+01  0.104023D+00 -0.728485D+00 -0.857959D+00 -0.426277D+00
                86            87            88            89            90 
      1  -0.217722D+02 -0.205220D+01 -0.134998D+01  0.399354D+00 -0.479806D+01
      2   0.351199D+02  0.138664D+01  0.115685D+01 -0.146469D+01  0.275676D+01
      3  -0.133477D+02  0.665560D+00  0.193123D+00  0.106533D+01  0.204130D+01
      4   0.147209D+02  0.837800D+00 -0.701367D+00 -0.122410D+01  0.104194D+01
      5   0.240865D+00  0.160146D+01  0.331649D+00  0.175816D+01  0.761056D+00
      6   0.549286D+01  0.564212D+01 -0.820034D+00  0.566639D+01  0.229376D+00
                91            92            93            94            95 
      1  -0.106143D+02  0.394974D+01  0.998303D+00  0.924247D+01 -0.787848D+01
      2   0.873048D+01 -0.146283D+01 -0.262535D+01 -0.547289D+01  0.931343D+01
      3   0.188385D+01 -0.248691D+01  0.162705D+01 -0.376957D+01 -0.143494D+01
      4  -0.146062D+01 -0.204767D+01  0.193247D+01  0.446485D+01  0.998416D+01
      5   0.286487D+01  0.462050D+00 -0.369498D+01 -0.234943D+01 -0.181028D+01
      6   0.210401D+01  0.392850D+00  0.228115D+00 -0.217993D+01 -0.435538D+01
                96            97            98            99           100 
      1   0.575164D+00  0.102070D+01  0.252093D+01 -0.294565D+01  0.112740D+02
      2  -0.363187D+00 -0.832116D+00 -0.207639D+01  0.113910D+01 -0.813807D+00
      3  -0.211978D+00 -0.188580D+00 -0.444544D+00  0.180655D+01 -0.104602D+02
      4  -0.390025D+01  0.274400D+00 -0.123263D+01  0.131069D+01 -0.199850D+02
      5   0.392746D+01  0.898382D+00  0.143015D+01 -0.665207D+00 -0.735675D+00
      6   0.357939D+01  0.586104D-01  0.340732D+01 -0.371951D+01 -0.142665D+01
               101           102           103           104           105 
      1   0.847575D+00  0.264248D+01 -0.117097D+01  0.825776D+00  0.435690D-02
      2  -0.671064D+01 -0.575977D+00 -0.281066D+01  0.299914D+01 -0.298684D+00
      3   0.586306D+01 -0.206650D+01  0.398163D+01 -0.382491D+01  0.294327D+00
      4   0.127758D+02 -0.180573D+01  0.952726D+01 -0.579782D+01  0.166987D+00
      5   0.563379D+00  0.254583D+01  0.853252D+00 -0.196450D+00 -0.994324D+00
      6  -0.117183D+01 -0.394556D+01 -0.626173D+00  0.422908D+00  0.240970D+01
               106           107           108           109           110 
      1   0.112829D+01 -0.147584D+00  0.333150D-01 -0.101004D+01 -0.223148D+01
      2  -0.382070D+00 -0.746023D+00 -0.240687D+00  0.114700D+01  0.172181D+01
      3  -0.746215D+00  0.893607D+00  0.207372D+00 -0.136959D+00  0.509675D+00
      4  -0.437042D+01  0.991659D+00 -0.130146D+01  0.559834D+00  0.375221D+01
      5   0.238819D+01 -0.942333D+00  0.290197D+00  0.696458D+00  0.186281D+01
      6  -0.729881D+00  0.252335D+01 -0.949149D+00  0.258238D+01  0.335529D+01
               111           112           113           114           115 
      1  -0.211996D+01 -0.162598D+01 -0.127688D+02 -0.835999D+01 -0.202906D+01
      2   0.634815D+00  0.118127D+01  0.146640D+02  0.820023D+01  0.556036D+00
      3   0.148515D+01  0.444702D+00 -0.189523D+01  0.159761D+00  0.147302D+01
      4   0.271083D+01  0.393854D+01 -0.178573D+01 -0.745824D+00  0.289718D+01
      5   0.196840D+01  0.100968D+01 -0.118996D+01 -0.199544D+01  0.232209D+01
      6   0.508432D+01  0.614255D+00  0.157748D+02  0.154243D+02  0.275249D+01
               116           117           118           119           120 
      1  -0.127076D+02 -0.137041D+02  0.127258D+02  0.373440D+01 -0.716646D+01
      2   0.104045D+02  0.668740D+01 -0.656765D+01 -0.159757D+01  0.384886D+01
      3   0.230307D+01  0.701675D+01 -0.615815D+01 -0.213683D+01  0.331760D+01
      4  -0.106025D+01  0.431514D+00  0.592549D+01  0.481815D+01 -0.389294D+01
      5  -0.177655D+01 -0.110375D+01 -0.792279D+01 -0.285059D+01  0.948967D+01
      6   0.191164D+02  0.199456D+02 -0.239469D+01 -0.604359D+00  0.159904D+01
               121           122           123           124           125 
      1   0.584913D+01  0.249064D+01 -0.323700D+01 -0.137887D+02 -0.253554D+01
      2  -0.184796D+01  0.565394D-01  0.682625D+00  0.844873D+01  0.110383D+01
      3  -0.400118D+01 -0.254718D+01  0.255438D+01  0.533996D+01  0.143171D+01
      4   0.778637D+01  0.619155D+01 -0.678309D+01 -0.813787D+01 -0.778078D+01
      5  -0.517557D+01 -0.571651D+01  0.835186D+01  0.151987D+02  0.779511D+01
      6  -0.258682D+01 -0.273581D+01  0.456164D+01  0.437567D+01  0.360029D+01
               126 
      1   0.791329D+01
      2  -0.720215D+01
      3  -0.711145D+00
      4   0.952301D+01
      5  -0.230941D+02
      6  -0.670320D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:02:11 2021, MaxMem=  5368709120 cpu:            4534.7 elap:             568.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.51606 -19.50492 -19.46456 -14.64297 -10.57679
 Alpha  occ. eigenvalues --  -10.51094 -10.50143  -1.25098  -1.19238  -1.16063
 Alpha  occ. eigenvalues --   -1.06345  -0.90201  -0.79989  -0.73384  -0.67212
 Alpha  occ. eigenvalues --   -0.66668  -0.65300  -0.61004  -0.57740  -0.56743
 Alpha  occ. eigenvalues --   -0.55679  -0.53490  -0.49920  -0.47537  -0.43566
 Alpha  occ. eigenvalues --   -0.43408  -0.41146  -0.38158
 Alpha virt. eigenvalues --   -0.02197  -0.00649   0.00004   0.00740   0.02345
 Alpha virt. eigenvalues --    0.02387   0.03365   0.04984   0.05765   0.07449
 Alpha virt. eigenvalues --    0.08112   0.08695   0.09287   0.09575   0.10209
 Alpha virt. eigenvalues --    0.10791   0.12030   0.12823   0.13692   0.14271
 Alpha virt. eigenvalues --    0.15707   0.15966   0.16678   0.18552   0.19433
 Alpha virt. eigenvalues --    0.21413   0.22364   0.22499   0.23214   0.24218
 Alpha virt. eigenvalues --    0.24933   0.25855   0.26171   0.27528   0.27951
 Alpha virt. eigenvalues --    0.28670   0.28763   0.30352   0.31121   0.31727
 Alpha virt. eigenvalues --    0.32324   0.34203   0.35198   0.36798   0.38030
 Alpha virt. eigenvalues --    0.38544   0.39493   0.41012   0.41500   0.41953
 Alpha virt. eigenvalues --    0.42625   0.43679   0.44540   0.46094   0.46801
 Alpha virt. eigenvalues --    0.47689   0.48569   0.49264   0.50913   0.51030
 Alpha virt. eigenvalues --    0.51644   0.53344   0.56651   0.57612   0.58667
 Alpha virt. eigenvalues --    0.58973   0.59188   0.60438   0.61041   0.62235
 Alpha virt. eigenvalues --    0.64372   0.64989   0.66347   0.66613   0.67742
 Alpha virt. eigenvalues --    0.69859   0.71821   0.73228   0.74306   0.74797
 Alpha virt. eigenvalues --    0.76155   0.76652   0.79165   0.80632   0.81764
 Alpha virt. eigenvalues --    0.82927   0.84221   0.86248   0.87566   0.88870
 Alpha virt. eigenvalues --    0.91737   0.95095   0.96571   0.96890   0.98571
 Alpha virt. eigenvalues --    1.00462   1.02349   1.04478   1.06423   1.08565
 Alpha virt. eigenvalues --    1.09825   1.11894   1.12940   1.14813   1.15203
 Alpha virt. eigenvalues --    1.16323   1.19480   1.20423   1.22059   1.25151
 Alpha virt. eigenvalues --    1.27065   1.29156   1.29744   1.31835   1.36356
 Alpha virt. eigenvalues --    1.38095   1.39500   1.44148   1.48472   1.50736
 Alpha virt. eigenvalues --    1.51464   1.54014   1.54488   1.57428   1.59772
 Alpha virt. eigenvalues --    1.62270   1.66344   1.69401   1.69982   1.73370
 Alpha virt. eigenvalues --    1.75866   1.77910   1.81060   1.82855   1.84435
 Alpha virt. eigenvalues --    1.85195   1.87281   1.90667   1.93130   1.94647
 Alpha virt. eigenvalues --    1.97784   1.98632   1.99471   2.03883   2.05753
 Alpha virt. eigenvalues --    2.09356   2.12018   2.15590   2.17115   2.17863
 Alpha virt. eigenvalues --    2.18989   2.22199   2.22934   2.23752   2.26634
 Alpha virt. eigenvalues --    2.30289   2.31507   2.33442   2.37642   2.39881
 Alpha virt. eigenvalues --    2.43004   2.45108   2.51270   2.53008   2.58737
 Alpha virt. eigenvalues --    2.62399   2.64740   2.65872   2.69814   2.71784
 Alpha virt. eigenvalues --    2.77857   2.81328   2.83848   2.87609   2.95267
 Alpha virt. eigenvalues --    3.03504   3.07099   3.15733   3.25350   3.34762
 Alpha virt. eigenvalues --    3.43163   3.44607   3.45329   3.47470   3.48269
 Alpha virt. eigenvalues --    3.50645   3.51472   3.53209   3.54817   3.56009
 Alpha virt. eigenvalues --    3.61551   3.65422   3.77309   3.86092   3.95772
 Alpha virt. eigenvalues --    4.01452
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.625513   0.157473  -0.050421  -0.006817   0.298832  -0.053785
     2  C    0.157473   6.812528  -0.973631   0.144501   0.037351   0.418702
     3  C   -0.050421  -0.973631   6.475437   0.063756   0.002257  -0.030043
     4  O   -0.006817   0.144501   0.063756   7.900458  -0.003597  -0.058686
     5  O    0.298832   0.037351   0.002257  -0.003597   7.924335   0.002840
     6  N   -0.053785   0.418702  -0.030043  -0.058686   0.002840   6.203312
     7  O    0.010591  -0.049652   0.657629  -0.057986  -0.003105  -0.010790
     8  H    0.131888  -0.545765  -0.117863   0.011028  -0.028827  -0.087323
     9  H    0.237408  -0.200090  -0.083308   0.026107  -0.215901  -0.076230
    10  H    0.052714   0.061387  -0.005676  -0.005071   0.004644   0.049604
    11  H   -0.016590  -0.151539  -0.022444   0.227000   0.001503   0.062631
    12  H   -0.067130  -0.115298  -0.002182   0.009042   0.010664   0.192092
    13  H   -0.017259   0.168607  -0.041184  -0.007621  -0.002052   0.321057
    14  H   -0.019256  -0.041286  -0.005006   0.000570   0.317097  -0.011597
               7          8          9         10         11         12
     1  C    0.010591   0.131888   0.237408   0.052714  -0.016590  -0.067130
     2  C   -0.049652  -0.545765  -0.200090   0.061387  -0.151539  -0.115298
     3  C    0.657629  -0.117863  -0.083308  -0.005676  -0.022444  -0.002182
     4  O   -0.057986   0.011028   0.026107  -0.005071   0.227000   0.009042
     5  O   -0.003105  -0.028827  -0.215901   0.004644   0.001503   0.010664
     6  N   -0.010790  -0.087323  -0.076230   0.049604   0.062631   0.192092
     7  O    7.691781   0.016808   0.013068  -0.017693   0.007456   0.000373
     8  H    0.016808   1.860251   0.126223  -0.073652   0.016509   0.067512
     9  H    0.013068   0.126223   1.835486  -0.447423  -0.001940  -0.007040
    10  H   -0.017693  -0.073652  -0.447423   1.649261   0.004044   0.013237
    11  H    0.007456   0.016509  -0.001940   0.004044   0.685429   0.013020
    12  H    0.000373   0.067512  -0.007040   0.013237   0.013020   1.015201
    13  H    0.002632  -0.125839  -0.000343  -0.006900  -0.014389  -0.158386
    14  H    0.000761   0.006317   0.059391  -0.083113  -0.000836   0.000301
              13         14
     1  C   -0.017259  -0.019256
     2  C    0.168607  -0.041286
     3  C   -0.041184  -0.005006
     4  O   -0.007621   0.000570
     5  O   -0.002052   0.317097
     6  N    0.321057  -0.011597
     7  O    0.002632   0.000761
     8  H   -0.125839   0.006317
     9  H   -0.000343   0.059391
    10  H   -0.006900  -0.083113
    11  H   -0.014389  -0.000836
    12  H   -0.158386   0.000301
    13  H    0.872403   0.001818
    14  H    0.001818   0.636850
 Mulliken charges:
               1
     1  C    0.716840
     2  C    0.276712
     3  C    0.132679
     4  O   -0.242683
     5  O   -0.346041
     6  N    0.078216
     7  O   -0.261872
     8  H   -0.257266
     9  H   -0.265408
    10  H   -0.195365
    11  H    0.190147
    12  H    0.028595
    13  H    0.007456
    14  H    0.137990
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.256067
     2  C    0.019445
     3  C    0.132679
     4  O   -0.052536
     5  O   -0.208051
     6  N    0.114267
     7  O   -0.261872
 Electronic spatial extent (au):  <R**2>=            812.4539
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.6145    Y=              2.0861    Z=              1.8085  Tot=              4.5483
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -51.4106   YY=            -41.0131   ZZ=            -39.1891
   XY=              5.2782   XZ=             -3.5624   YZ=              2.2040
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.5396   YY=              2.8578   ZZ=              4.6819
   XY=              5.2782   XZ=             -3.5624   YZ=              2.2040
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -14.7425  YYY=             11.0754  ZZZ=              1.9405  XYY=            -11.1074
  XXY=              3.7134  XXZ=             13.3846  XZZ=             -3.8312  YZZ=              2.7498
  YYZ=              2.4357  XYZ=              4.9955
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -667.7032 YYYY=           -255.6134 ZZZZ=            -94.8668 XXXY=             20.5105
 XXXZ=            -34.7598 YYYX=             13.0027 YYYZ=             10.8690 ZZZX=             -2.4502
 ZZZY=              2.0483 XXYY=           -146.1980 XXZZ=           -116.9153 YYZZ=            -55.0659
 XXYZ=             -6.4934 YYXZ=             -8.8664 ZZXY=              4.3340
 N-N= 3.233201492639D+02 E-N=-1.581146699374D+03  KE= 3.960936841671D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:02:11 2021, MaxMem=  5368709120 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.40490352D+00 8.25059592D-01 6.96984983D-01
 Polarizability= 6.00535858D+01-1.74616698D+00 5.74968900D+01
                -2.03350776D+00-2.55419927D+00 4.66994175D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.0200    1.0212       -0.9038   -0.9068
 2     -1.0200   -1.0212        1.3861    1.3858       -1.2522   -1.2520
 3      0.9038    0.9068        6.8691    6.8700       -1.3884   -1.3858
 4     -1.3861   -1.3858       -0.0000    0.0000        0.9067    0.9068
 5     -5.6169   -5.6180       -0.9067   -0.9068        1.0213    1.0212
 6      1.3884    1.3858       -1.0213   -1.0212        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -3.0635   -3.0635       -2.7204   -2.7204
 2     -4.1574   -4.1574       -0.0000    0.0000       -2.7204   -2.7204
 3     -4.1574   -4.1574       -3.0635   -3.0635        0.0000    0.0000
 4     -3.0635   -3.0635        4.1574    4.1574       -3.7561   -3.7561
 5      2.7204    2.7204       20.6101   20.6101       -4.1574   -4.1574
 6    -16.8540  -16.8540       -2.7204   -2.7204        3.0635    3.0635
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1092    0.0000       -4.0553   -4.0847        3.6754    3.6272
 2      4.2333    4.0847       -5.5731   -5.5432        4.9971    5.0082
 3     -3.8843   -3.6272      -27.4207  -27.4802        5.6616    5.5432
 4      5.4887    5.5432       -0.1284    0.0000       -3.6770   -3.6272
 5     22.4591   22.4720        3.8004    3.6272       -3.9296   -4.0847
 6     -5.5346   -5.5432        4.1110    4.0847       -0.0101    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2349    0.0000        5.6427    5.5911        1.5652    1.5117
 2     -5.3516   -5.5911      -12.3498  -12.1874       16.3538   16.4903
 3     -1.5115   -1.5117        2.0146    2.2105       11.9306   12.1874
 4     12.2524   12.1874        0.0937    0.0000       -1.1648   -1.5117
 5    -18.7631  -18.7008        1.5983    1.5117        5.2251    5.5911
 6    -12.1127  -12.1874       -5.8035   -5.5911       -0.3788    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      8.8789    8.5869       15.9349   16.3242      -10.6546  -10.4525
 2     24.4544   24.3249       16.0536   16.1700      -10.3215  -10.4525
 3     24.6566   24.3249       16.1033   16.3242      -11.7504  -11.7911
 4      0.4210    0.1542      -15.5512  -15.7380       14.1962   14.3493
 5     -1.0559   -1.3385       20.9840   20.7401       15.9802   15.7380
 6    -35.5317  -35.0894        1.0759    1.3385       -0.8201   -0.1542
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.5836   -0.0004    0.0007    0.0010    0.7792    3.7127
 Low frequencies ---   82.7834  129.3509  192.3251
 Diagonal vibrational polarizability:
       37.1241251      41.1371557      21.8017013
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     82.7833               129.3508               192.3251
 Red. masses --      6.3059                 2.5858                 5.7991
 Frc consts  --      0.0255                 0.0255                 0.1264
 IR Inten    --      2.6980                12.7116                 8.1281
 RamAct Fr= 1--      0.7508                 0.2941                 0.4172
  Dep-P Fr= 1--      0.7435                 0.6687                 0.7087
  Dep-U Fr= 1--      0.8529                 0.8015                 0.8295
 Alpha2 Fr= 1--      0.0001                 0.0004                 0.0003
 Beta2  Fr= 1--      0.1067                 0.0393                 0.0577
 AlphaG Fr= 1--      0.0007                -0.0012                -0.0001
 Gamma2 Fr= 1--      0.1405                 0.0967                -0.0098
 Delta2 Fr= 1--      0.0643                 0.0163                 0.0069
 Raman1 Fr= 1--       3.003                  1.176                  1.669
 ROA1   Fr= 1--      15.548                  9.809                 -0.723
 CID1   Fr= 1--       5.177                  8.340                 -0.433
 Raman2 Fr= 1--       1.281                  0.471                  0.692
 ROA2   Fr= 1--       2.858                  2.191                 -0.291
 CID2   Fr= 1--       2.232                  4.648                 -0.421
 Raman3 Fr= 1--       2.561                  0.943                  1.384
 ROA3   Fr= 1--      15.548                  9.809                 -0.723
 CID3   Fr= 1--       6.070                 10.406                 -0.522
 RC180  Fr= 1--       0.706                  0.603                  0.659
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.05   0.06     0.01  -0.14   0.17    -0.20  -0.03  -0.13
     2   6    -0.00   0.08  -0.09     0.02  -0.03   0.08    -0.03  -0.19  -0.18
     3   6    -0.00   0.02  -0.03     0.01   0.00  -0.01     0.07  -0.04  -0.03
     4   8     0.21   0.12   0.31    -0.04   0.06   0.02     0.07   0.09   0.12
     5   8    -0.03  -0.13   0.16     0.03   0.16  -0.12    -0.11   0.20   0.15
     6   7     0.00   0.07  -0.24    -0.05  -0.06  -0.02    -0.04  -0.18  -0.11
     7   8    -0.17  -0.11  -0.22     0.04  -0.01  -0.10     0.24   0.08   0.11
     8   1     0.01   0.22  -0.04     0.10   0.05   0.11    -0.03  -0.23  -0.19
     9   1    -0.14  -0.13   0.02     0.20  -0.47   0.12    -0.34   0.03  -0.14
    10   1     0.06  -0.03   0.14    -0.17  -0.14   0.50    -0.37  -0.07  -0.24
    11   1     0.23   0.14   0.26    -0.08   0.03   0.07    -0.05  -0.02   0.01
    12   1     0.05   0.04  -0.44    -0.04  -0.14  -0.12    -0.07  -0.18   0.03
    13   1    -0.20   0.13  -0.22    -0.15   0.01  -0.04     0.07  -0.21  -0.12
    14   1     0.09  -0.04   0.25    -0.18   0.42  -0.06    -0.01   0.25   0.21
                      4                      5                      6
                      A                      A                      A
 Frequencies --    312.5194               320.7589               341.2563
 Red. masses --      1.7166                 1.8756                 2.6226
 Frc consts  --      0.0988                 0.1137                 0.1799
 IR Inten    --     22.1805                55.7047                17.3009
 RamAct Fr= 1--      0.7503                 0.4585                 1.3591
  Dep-P Fr= 1--      0.5279                 0.7432                 0.1921
  Dep-U Fr= 1--      0.6910                 0.8527                 0.3223
 Alpha2 Fr= 1--      0.0032                 0.0001                 0.0188
 Beta2  Fr= 1--      0.0864                 0.0652                 0.0730
 AlphaG Fr= 1--     -0.0070                 0.0012                -0.0153
 Gamma2 Fr= 1--      0.2969                -0.1713                 0.1137
 Delta2 Fr= 1--      0.2037                 0.1330                 0.0818
 Raman1 Fr= 1--       3.001                  1.834                  5.436
 ROA1   Fr= 1--      35.022                -12.191                 13.535
 CID1   Fr= 1--      11.670                 -6.647                  2.490
 Raman2 Fr= 1--       1.037                  0.782                  0.876
 ROA2   Fr= 1--       5.497                 -5.176                  2.075
 CID2   Fr= 1--       5.302                 -6.620                  2.369
 Raman3 Fr= 1--       2.074                  1.564                  1.752
 ROA3   Fr= 1--      35.022                -12.191                 13.535
 CID3   Fr= 1--      16.889                 -7.796                  7.724
 RC180  Fr= 1--       0.382                  0.705                 -0.355
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.00  -0.06    -0.06  -0.01   0.00    -0.08  -0.07   0.05
     2   6     0.01   0.00  -0.03    -0.02  -0.00  -0.02    -0.00   0.03  -0.06
     3   6     0.00   0.02  -0.01     0.00  -0.02  -0.01     0.01   0.05  -0.08
     4   8     0.05  -0.04  -0.04    -0.06   0.02   0.01     0.21  -0.02  -0.04
     5   8     0.09   0.02   0.03    -0.09  -0.10  -0.06    -0.11  -0.06  -0.07
     6   7    -0.15  -0.02   0.05     0.16   0.05   0.05    -0.04   0.03   0.12
     7   8    -0.07  -0.01   0.02     0.06   0.01   0.01    -0.04   0.06   0.03
     8   1     0.02  -0.08  -0.05    -0.03   0.02  -0.01     0.13  -0.04  -0.06
     9   1    -0.00   0.04  -0.06    -0.08  -0.05  -0.01    -0.08  -0.30  -0.00
    10   1     0.06  -0.00  -0.09    -0.00  -0.00   0.04    -0.08  -0.05   0.28
    11   1     0.14   0.02  -0.02    -0.07   0.04   0.17     0.31   0.02  -0.24
    12   1    -0.12  -0.16  -0.16     0.28   0.20  -0.35    -0.13   0.09   0.56
    13   1    -0.43  -0.05   0.14    -0.12  -0.05   0.18     0.37  -0.05   0.07
    14   1     0.35   0.59   0.41     0.18   0.64   0.40    -0.12   0.16   0.04
                      7                      8                      9
                      A                      A                      A
 Frequencies --    364.0518               435.0243               567.1648
 Red. masses --      1.2893                 3.5655                 3.9462
 Frc consts  --      0.1007                 0.3976                 0.7479
 IR Inten    --     52.0804                26.1892                 6.9497
 RamAct Fr= 1--      0.6268                 2.1568                 1.9678
  Dep-P Fr= 1--      0.3128                 0.2383                 0.5030
  Dep-U Fr= 1--      0.4765                 0.3849                 0.6693
 Alpha2 Fr= 1--      0.0062                 0.0264                 0.0096
 Beta2  Fr= 1--      0.0498                 0.1383                 0.2195
 AlphaG Fr= 1--      0.0134                -0.0071                 0.0025
 Gamma2 Fr= 1--     -0.0303                -0.0172                 0.1631
 Delta2 Fr= 1--      0.0213                 0.0437                -0.0887
 Raman1 Fr= 1--       2.507                  8.627                  7.871
 ROA1   Fr= 1--      -2.228                 -0.252                 12.813
 CID1   Fr= 1--      -0.889                 -0.029                  1.628
 Raman2 Fr= 1--       0.597                  1.660                  2.634
 ROA2   Fr= 1--      -0.898                 -0.762                  4.623
 CID2   Fr= 1--      -1.504                 -0.459                  1.755
 Raman3 Fr= 1--       1.195                  3.320                  5.268
 ROA3   Fr= 1--      -2.228                 -0.252                 12.813
 CID3   Fr= 1--      -1.865                 -0.076                  2.432
 RC180  Fr= 1--      -0.047                 -0.230                  0.339
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.01  -0.03    -0.03   0.17   0.06     0.01  -0.08  -0.08
     2   6    -0.01  -0.02   0.00    -0.01   0.06   0.16    -0.11   0.12  -0.16
     3   6    -0.04   0.00   0.02     0.07  -0.06   0.07    -0.03  -0.10   0.06
     4   8    -0.06   0.04   0.04     0.05  -0.09   0.02    -0.08  -0.12   0.07
     5   8     0.05  -0.01  -0.01    -0.13  -0.07  -0.08     0.08   0.03   0.05
     6   7     0.02  -0.03  -0.05    -0.16   0.01  -0.07    -0.09   0.25   0.05
     7   8    -0.04  -0.01  -0.01     0.19  -0.05  -0.10     0.19  -0.05  -0.06
     8   1    -0.05  -0.03  -0.00     0.00   0.13   0.19    -0.32   0.11  -0.19
     9   1     0.03   0.01  -0.02     0.02   0.47   0.15    -0.06  -0.48  -0.19
    10   1     0.05  -0.01  -0.03     0.04   0.16  -0.22     0.04  -0.04   0.33
    11   1    -0.15  -0.05  -0.11     0.06  -0.11  -0.15    -0.00  -0.07   0.06
    12   1    -0.10   0.04   0.49    -0.24  -0.16   0.12    -0.15   0.27   0.28
    13   1     0.60   0.06  -0.25     0.03   0.29  -0.29     0.01  -0.00   0.19
    14   1     0.22   0.38   0.25     0.02   0.32   0.17     0.10  -0.11  -0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    662.4185               729.8231               855.6674
 Red. masses --      4.7900                 7.4140                 1.4055
 Frc consts  --      1.2384                 2.3267                 0.6063
 IR Inten    --      5.7003                13.2371                66.5510
 RamAct Fr= 1--      1.0022                 4.9396                 2.3040
  Dep-P Fr= 1--      0.6919                 0.0547                 0.3090
  Dep-U Fr= 1--      0.8179                 0.1036                 0.4721
 Alpha2 Fr= 1--      0.0010                 0.0965                 0.0230
 Beta2  Fr= 1--      0.1366                 0.0853                 0.1813
 AlphaG Fr= 1--     -0.0041                 0.0954                -0.0780
 Gamma2 Fr= 1--     -0.3128                -0.6473                 0.7027
 Delta2 Fr= 1--      0.3752                 0.0576                -0.0724
 Raman1 Fr= 1--       4.009                 19.758                  9.216
 ROA1   Fr= 1--     -18.023                -60.301                 65.146
 CID1   Fr= 1--      -4.496                 -3.052                  7.069
 Raman2 Fr= 1--       1.639                  1.024                  2.175
 ROA2   Fr= 1--     -10.509                -15.997                 17.445
 CID2   Fr= 1--      -6.410                -15.624                  8.019
 Raman3 Fr= 1--       3.279                  2.048                  4.351
 ROA3   Fr= 1--     -18.023                -60.301                 65.146
 CID3   Fr= 1--      -5.497                -29.448                 14.974
 RC180  Fr= 1--       0.636                 -0.793                 -0.056
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.11  -0.09    -0.07  -0.11  -0.16     0.01  -0.02   0.01
     2   6    -0.19  -0.06   0.13     0.14   0.02  -0.02     0.09  -0.02  -0.02
     3   6    -0.11   0.19   0.25     0.38   0.16   0.42    -0.04   0.03   0.02
     4   8     0.09  -0.16  -0.03    -0.03   0.13  -0.18    -0.05  -0.07   0.01
     5   8     0.04   0.03   0.03    -0.13   0.01   0.02    -0.02  -0.00  -0.01
     6   7     0.09  -0.08  -0.01    -0.01   0.06  -0.01     0.03   0.04  -0.07
     7   8     0.02   0.18  -0.18    -0.10  -0.22  -0.02    -0.00   0.05  -0.01
     8   1    -0.50  -0.08   0.09    -0.27  -0.00  -0.08     0.14   0.08   0.01
     9   1     0.02  -0.02  -0.05    -0.20  -0.29  -0.22    -0.00   0.11   0.05
    10   1    -0.07  -0.12  -0.14    -0.19  -0.11   0.03    -0.03  -0.03  -0.11
    11   1     0.45   0.09  -0.17    -0.23   0.02   0.17     0.33   0.28   0.54
    12   1     0.20   0.20  -0.23    -0.11  -0.13   0.22    -0.17  -0.32   0.43
    13   1     0.11  -0.04  -0.05    -0.02   0.03   0.03    -0.16  -0.25   0.18
    14   1     0.07  -0.01   0.03    -0.02  -0.02   0.04    -0.05   0.05   0.01
                     13                     14                     15
                      A                      A                      A
 Frequencies --    868.2580               888.5196               946.5034
 Red. masses --      1.6679                 1.9432                 1.8659
 Frc consts  --      0.7408                 0.9039                 0.9849
 IR Inten    --     28.1965                65.2702                50.3315
 RamAct Fr= 1--      3.9154                 4.2352                 2.7407
  Dep-P Fr= 1--      0.1008                 0.1351                 0.4172
  Dep-U Fr= 1--      0.1831                 0.2381                 0.5887
 Alpha2 Fr= 1--      0.0684                 0.0680                 0.0191
 Beta2  Fr= 1--      0.1195                 0.1681                 0.2689
 AlphaG Fr= 1--      0.1087                -0.0619                 0.0150
 Gamma2 Fr= 1--     -0.2487                -0.2548                 0.5791
 Delta2 Fr= 1--     -0.0788                -0.1232                 0.1168
 Raman1 Fr= 1--      15.661                 16.941                 10.963
 ROA1   Fr= 1--     -26.396                -28.403                 59.334
 CID1   Fr= 1--      -1.685                 -1.677                  5.412
 Raman2 Fr= 1--       1.434                  2.017                  3.227
 ROA2   Fr= 1--      -5.338                 -5.129                 12.965
 CID2   Fr= 1--      -3.722                 -2.543                  4.018
 Raman3 Fr= 1--       2.868                  4.034                  6.454
 ROA3   Fr= 1--     -26.396                -28.403                 59.334
 CID3   Fr= 1--      -9.203                 -7.041                  9.193
 RC180  Fr= 1--      -0.634                 -0.524                  0.177
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.05   0.00    -0.05  -0.17  -0.02    -0.04  -0.08  -0.11
     2   6    -0.13  -0.03   0.07     0.01  -0.07   0.09     0.16   0.04   0.05
     3   6     0.03  -0.05  -0.06    -0.01  -0.02  -0.04    -0.03   0.02  -0.04
     4   8     0.04   0.06  -0.08     0.03   0.03   0.01    -0.04  -0.07   0.05
     5   8     0.04   0.01   0.00     0.04   0.02  -0.00    -0.03   0.01   0.01
     6   7    -0.05   0.02  -0.01     0.02   0.17  -0.02    -0.04   0.02   0.07
     7   8     0.01  -0.05   0.05    -0.01  -0.01   0.01    -0.00   0.04  -0.00
     8   1    -0.13   0.04   0.09     0.15   0.11   0.16     0.35  -0.12   0.03
     9   1     0.05   0.12   0.06    -0.02   0.33   0.11    -0.07  -0.12  -0.13
    10   1    -0.02  -0.07  -0.16    -0.13  -0.24  -0.55    -0.12  -0.09  -0.07
    11   1     0.24   0.31   0.71    -0.18  -0.18  -0.45     0.07   0.04   0.22
    12   1     0.02   0.33  -0.04    -0.06  -0.01   0.12     0.07   0.05  -0.30
    13   1     0.25   0.12  -0.15    -0.20  -0.01   0.16     0.21   0.61  -0.39
    14   1    -0.00   0.02  -0.01    -0.11   0.09  -0.02     0.07  -0.06   0.00
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1000.0291              1063.5726              1122.5534
 Red. masses --      1.8744                 5.4881                 2.7569
 Frc consts  --      1.1044                 3.6577                 2.0469
 IR Inten    --     37.9540               129.7682                27.2200
 RamAct Fr= 1--      1.8651                 3.9686                 2.6013
  Dep-P Fr= 1--      0.2144                 0.5135                 0.6432
  Dep-U Fr= 1--      0.3531                 0.6785                 0.7829
 Alpha2 Fr= 1--      0.0244                 0.0184                 0.0050
 Beta2  Fr= 1--      0.1097                 0.4488                 0.3394
 AlphaG Fr= 1--     -0.0051                 0.0068                 0.0036
 Gamma2 Fr= 1--     -0.3403                -0.0497                 0.3888
 Delta2 Fr= 1--     -0.3478                -0.2633                 0.7917
 Raman1 Fr= 1--       7.461                 15.874                 10.405
 ROA1   Fr= 1--     -43.795                -13.197                 62.660
 CID1   Fr= 1--      -5.870                 -0.831                  6.022
 Raman2 Fr= 1--       1.317                  5.386                  4.073
 ROA2   Fr= 1--      -5.383                  0.914                  2.998
 CID2   Fr= 1--      -4.088                  0.170                  0.736
 Raman3 Fr= 1--       2.634                 10.771                  8.146
 ROA3   Fr= 1--     -43.795                -13.197                 62.660
 CID3   Fr= 1--     -16.627                 -1.225                  7.692
 RC180  Fr= 1--      -0.294                  0.357                  0.566
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03  -0.13     0.45  -0.14  -0.04    -0.01  -0.13  -0.06
     2   6    -0.02  -0.01   0.17    -0.05  -0.02  -0.02     0.00   0.29   0.02
     3   6    -0.05  -0.06  -0.07     0.03   0.01  -0.05    -0.08  -0.07  -0.00
     4   8     0.04   0.06  -0.02    -0.01  -0.03   0.02     0.01   0.05  -0.02
     5   8    -0.05   0.01   0.02    -0.33   0.11   0.07    -0.00   0.02   0.01
     6   7     0.06   0.03  -0.04    -0.03   0.02   0.00     0.05  -0.15   0.04
     7   8     0.01  -0.01   0.02    -0.01   0.02  -0.00     0.04  -0.04   0.02
     8   1    -0.22  -0.08   0.12     0.02   0.04  -0.00    -0.21   0.54   0.07
     9   1     0.18  -0.39  -0.20     0.41   0.12   0.04    -0.28   0.13  -0.05
    10   1    -0.13   0.05   0.33     0.42  -0.16  -0.22     0.30  -0.09  -0.23
    11   1     0.04   0.04  -0.06    -0.07  -0.07  -0.01     0.09   0.09  -0.06
    12   1    -0.10  -0.41   0.21     0.06   0.34  -0.11     0.01  -0.34   0.07
    13   1    -0.25   0.09   0.03     0.13  -0.17   0.07    -0.02  -0.09   0.01
    14   1     0.41  -0.17   0.08     0.01  -0.04   0.12    -0.31   0.14  -0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1139.7648              1220.7424              1292.3082
 Red. masses --      1.1438                 2.5959                 1.2424
 Frc consts  --      0.8754                 2.2792                 1.2225
 IR Inten    --     20.6107                13.4988                 8.2541
 RamAct Fr= 1--      2.7215                 5.6275                 5.6942
  Dep-P Fr= 1--      0.2332                 0.5988                 0.3850
  Dep-U Fr= 1--      0.3782                 0.7491                 0.5560
 Alpha2 Fr= 1--      0.0338                 0.0158                 0.0445
 Beta2  Fr= 1--      0.1715                 0.7026                 0.5276
 AlphaG Fr= 1--      0.0047                -0.0205                 0.0730
 Gamma2 Fr= 1--      0.6999                 0.3965                -1.9615
 Delta2 Fr= 1--      0.0201                 0.2783                -0.4227
 Raman1 Fr= 1--      10.886                 22.510                 22.777
 ROA1   Fr= 1--      67.837                 46.973               -201.827
 CID1   Fr= 1--       6.232                  2.087                 -8.861
 Raman2 Fr= 1--       2.058                  8.431                  6.332
 ROA2   Fr= 1--      16.637                  7.291                -43.694
 CID2   Fr= 1--       8.082                  0.865                 -6.901
 Raman3 Fr= 1--       4.117                 16.861                 12.663
 ROA3   Fr= 1--      67.837                 46.973               -201.827
 CID3   Fr= 1--      16.477                  2.786                -15.938
 RC180  Fr= 1--      -0.244                  0.498                  0.112
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.00  -0.02    -0.02  -0.00  -0.05    -0.00   0.02  -0.07
     2   6    -0.01   0.06   0.01    -0.08   0.04   0.11    -0.01  -0.01   0.07
     3   6     0.03   0.02  -0.01     0.22   0.09  -0.16    -0.04  -0.01   0.04
     4   8    -0.01  -0.02   0.01    -0.02  -0.12   0.07     0.00   0.02  -0.01
     5   8    -0.00   0.00  -0.01     0.03  -0.00   0.01     0.01  -0.00   0.01
     6   7    -0.02  -0.05  -0.01     0.01  -0.02  -0.02    -0.02   0.00  -0.05
     7   8    -0.00   0.00  -0.00    -0.05   0.07  -0.01     0.02  -0.03   0.00
     8   1     0.33   0.44   0.18    -0.16   0.04   0.09     0.62  -0.16   0.13
     9   1     0.29  -0.01   0.03    -0.32  -0.11  -0.13    -0.25  -0.16  -0.17
    10   1    -0.32  -0.05  -0.03     0.25   0.06   0.06     0.34   0.11   0.16
    11   1    -0.06  -0.05   0.01    -0.47  -0.38   0.36     0.10   0.08  -0.08
    12   1     0.03   0.25  -0.00    -0.05  -0.04   0.16     0.02   0.30  -0.01
    13   1     0.07  -0.33   0.14    -0.08  -0.13   0.08     0.01  -0.28   0.12
    14   1     0.47  -0.19   0.05    -0.26   0.12  -0.03    -0.25   0.10  -0.03
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1303.6362              1365.4044              1385.9039
 Red. masses --      1.5112                 1.3908                 1.2834
 Frc consts  --      1.5131                 1.5277                 1.4524
 IR Inten    --      1.3487                29.8989                11.0329
 RamAct Fr= 1--      0.7596                 2.7329                 1.2585
  Dep-P Fr= 1--      0.3300                 0.6281                 0.5973
  Dep-U Fr= 1--      0.4963                 0.7716                 0.7479
 Alpha2 Fr= 1--      0.0071                 0.0061                 0.0036
 Beta2  Fr= 1--      0.0628                 0.3514                 0.1569
 AlphaG Fr= 1--     -0.0154                -0.0151                 0.0146
 Gamma2 Fr= 1--      0.7371                -0.2874                -1.1971
 Delta2 Fr= 1--      0.0629                -0.6261                -0.4819
 Raman1 Fr= 1--       3.039                 10.932                  5.034
 ROA1   Fr= 1--      72.770                -47.623               -130.347
 CID1   Fr= 1--      23.949                 -4.356                -25.894
 Raman2 Fr= 1--       0.754                  4.217                  1.882
 ROA2   Fr= 1--      17.186                 -1.888                -24.876
 CID2   Fr= 1--      22.795                 -0.448                -13.215
 Raman3 Fr= 1--       1.508                  8.435                  3.765
 ROA3   Fr= 1--      72.770                -47.623               -130.347
 CID3   Fr= 1--      48.260                 -5.646                -34.622
 RC180  Fr= 1--      -0.007                  0.543                  0.496
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04   0.02    -0.00   0.04  -0.04    -0.09  -0.05   0.04
     2   6    -0.17   0.02  -0.07     0.02  -0.15  -0.04     0.07  -0.03   0.02
     3   6     0.03   0.02   0.04    -0.03  -0.01   0.02     0.00   0.00  -0.01
     4   8     0.00  -0.01  -0.01     0.02   0.00  -0.01    -0.01  -0.00   0.01
     5   8    -0.00   0.03  -0.01     0.00  -0.01   0.02    -0.02   0.05  -0.04
     6   7     0.06   0.00   0.03    -0.01   0.02   0.04    -0.02   0.01  -0.01
     7   8     0.00  -0.01  -0.01    -0.01   0.02  -0.01    -0.00  -0.00   0.00
     8   1     0.60  -0.10   0.01    -0.02   0.83   0.25    -0.24  -0.00  -0.01
     9   1     0.14   0.11   0.08     0.05  -0.12  -0.08    -0.18   0.15   0.09
    10   1     0.31   0.02   0.01     0.25   0.10   0.11     0.71   0.08   0.11
    11   1    -0.08  -0.06   0.09    -0.08  -0.05   0.06     0.06   0.05  -0.05
    12   1    -0.04  -0.43   0.10    -0.00  -0.09  -0.03     0.01   0.12  -0.02
    13   1    -0.13   0.36  -0.15     0.03   0.18  -0.08     0.02  -0.08   0.03
    14   1     0.22  -0.09   0.01    -0.20   0.08  -0.01     0.51  -0.21   0.02
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1410.4825              1416.2810              1504.1457
 Red. masses --      1.4320                 1.3088                 1.0836
 Frc consts  --      1.6785                 1.5468                 1.4444
 IR Inten    --    329.5136                72.9026                 3.4238
 RamAct Fr= 1--      3.1049                 2.3351                 4.3029
  Dep-P Fr= 1--      0.5923                 0.1998                 0.7488
  Dep-U Fr= 1--      0.7439                 0.3331                 0.8564
 Alpha2 Fr= 1--      0.0091                 0.0317                 0.0001
 Beta2  Fr= 1--      0.3850                 0.1296                 0.6141
 AlphaG Fr= 1--      0.0149                -0.0321                 0.0004
 Gamma2 Fr= 1--     -0.3173                 0.9145                 0.1029
 Delta2 Fr= 1--     -0.2329                 0.3570                -0.0310
 Raman1 Fr= 1--      12.420                  9.341                 17.212
 ROA1   Fr= 1--     -37.919                 99.213                  8.890
 CID1   Fr= 1--      -3.053                 10.622                  0.516
 Raman2 Fr= 1--       4.620                  1.555                  7.370
 ROA2   Fr= 1--      -5.753                 19.092                  2.718
 CID2   Fr= 1--      -1.245                 12.274                  0.369
 Raman3 Fr= 1--       9.239                  3.111                 14.739
 ROA3   Fr= 1--     -37.919                 99.213                  8.890
 CID3   Fr= 1--      -4.104                 31.892                  0.603
 RC180  Fr= 1--       0.488                 -0.334                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.02   0.03    -0.08  -0.02  -0.07     0.04  -0.04  -0.05
     2   6    -0.06  -0.04   0.01     0.01   0.01   0.00    -0.01  -0.01  -0.00
     3   6     0.09   0.05  -0.06     0.06   0.04  -0.05    -0.00   0.00  -0.00
     4   8    -0.08  -0.01   0.04    -0.05  -0.01   0.03     0.00   0.00   0.00
     5   8     0.00   0.00  -0.02     0.01  -0.01   0.04     0.01  -0.00  -0.01
     6   7     0.02  -0.01   0.01     0.00  -0.01  -0.00     0.00   0.00   0.00
     7   8    -0.00  -0.04   0.02    -0.00  -0.03   0.01     0.00   0.00  -0.00
     8   1     0.03   0.20   0.09    -0.09  -0.05  -0.03     0.03   0.06   0.02
     9   1    -0.45  -0.15  -0.10     0.73   0.17   0.12    -0.28   0.64   0.09
    10   1    -0.14  -0.04  -0.13     0.19   0.07   0.21    -0.25  -0.00   0.66
    11   1     0.53   0.40  -0.40     0.30   0.22  -0.25    -0.00  -0.00  -0.01
    12   1     0.01  -0.05   0.00     0.01   0.03   0.00     0.00   0.01  -0.00
    13   1    -0.03   0.13  -0.06    -0.02   0.00  -0.00    -0.01   0.02  -0.00
    14   1     0.12  -0.06  -0.01    -0.30   0.13   0.01     0.01  -0.01  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1664.9378              1838.8079              3017.3318
 Red. masses --      1.0873                 9.5554                 1.0839
 Frc consts  --      1.7758                19.0359                 5.8140
 IR Inten    --     38.6148               320.2678                20.2737
 RamAct Fr= 1--      3.5122                12.2124               119.9577
  Dep-P Fr= 1--      0.6086                 0.2972                 0.2069
  Dep-U Fr= 1--      0.7567                 0.4582                 0.3428
 Alpha2 Fr= 1--      0.0092                 0.1263                 1.5996
 Beta2  Fr= 1--      0.4429                 0.9327                 6.8536
 AlphaG Fr= 1--     -0.0099                -0.0418                -0.0910
 Gamma2 Fr= 1--     -0.7155                -0.0128                 2.5695
 Delta2 Fr= 1--     -0.2792                -0.0507                 3.4909
 Raman1 Fr= 1--      14.049                 48.850                479.831
 ROA1   Fr= 1--     -77.622                 -2.846                358.383
 CID1   Fr= 1--      -5.525                 -0.058                  0.747
 Raman2 Fr= 1--       5.315                 11.192                 82.244
 ROA2   Fr= 1--     -14.938                  0.100                 33.742
 CID2   Fr= 1--      -2.810                  0.009                  0.410
 Raman3 Fr= 1--      10.630                 22.384                164.487
 ROA3   Fr= 1--     -77.622                 -2.846                358.383
 CID3   Fr= 1--      -7.302                 -0.127                  2.179
 RC180  Fr= 1--       0.513                 -0.084                 -0.314
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.00     0.01   0.01   0.01    -0.00  -0.00   0.01
     2   6    -0.02  -0.00   0.02     0.03  -0.04  -0.00     0.01   0.02  -0.08
     3   6     0.01   0.01  -0.01    -0.31   0.62  -0.16    -0.00   0.00  -0.00
     4   8    -0.00  -0.00   0.00     0.05  -0.05   0.00    -0.00   0.00   0.00
     5   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   7    -0.03   0.07   0.01     0.00  -0.01   0.00     0.00   0.00   0.00
     7   8    -0.00  -0.00   0.00     0.19  -0.38   0.10     0.00  -0.00   0.00
     8   1     0.02  -0.03   0.02    -0.13   0.08  -0.02    -0.14  -0.28   0.93
     9   1    -0.00   0.01  -0.00    -0.02  -0.01   0.00     0.02   0.04  -0.13
    10   1     0.01   0.01   0.02    -0.06   0.01  -0.02    -0.01   0.02  -0.00
    11   1     0.03   0.02  -0.00    -0.38  -0.22   0.26     0.00  -0.01   0.00
    12   1    -0.01  -0.56  -0.45    -0.00  -0.01   0.04     0.00   0.00   0.00
    13   1     0.57  -0.37   0.10    -0.01   0.02  -0.01    -0.01  -0.00  -0.01
    14   1     0.00  -0.01  -0.00     0.01   0.01   0.01    -0.00  -0.00   0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3051.3121              3100.6237              3443.7340
 Red. masses --      1.0571                 1.1098                 1.0640
 Frc consts  --      5.7989                 6.2865                 7.4347
 IR Inten    --     19.8589                16.5230               247.8112
 RamAct Fr= 1--     91.7708                40.3801                68.1956
  Dep-P Fr= 1--      0.0553                 0.7494                 0.0847
  Dep-U Fr= 1--      0.1048                 0.8567                 0.1562
 Alpha2 Fr= 1--      1.7900                 0.0004                 1.2393
 Beta2  Fr= 1--      1.6028                 5.7659                 1.7752
 AlphaG Fr= 1--     -0.1098                -0.0044                 0.0534
 Gamma2 Fr= 1--      0.2596                -3.4623                -1.5550
 Delta2 Fr= 1--      1.3567                -2.8806                -1.7924
 Raman1 Fr= 1--     367.083                161.520                272.782
 ROA1   Fr= 1--      68.336               -424.563               -206.640
 CID1   Fr= 1--       0.186                 -2.629                 -0.758
 Raman2 Fr= 1--      19.234                 69.191                 21.302
 ROA2   Fr= 1--      -4.623                -60.052                -22.981
 CID2   Fr= 1--      -0.240                 -0.868                 -1.079
 Raman3 Fr= 1--      38.467                138.381                 42.605
 ROA3   Fr= 1--      68.336               -424.563               -206.640
 CID3   Fr= 1--       1.776                 -3.068                 -4.850
 RC180  Fr= 1--      -0.790                  0.713                 -0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.05  -0.05     0.00   0.07  -0.06    -0.00  -0.00  -0.00
     2   6     0.00   0.00  -0.01     0.00   0.00  -0.01     0.00   0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.01   0.00
     4   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.04  -0.05   0.00
     5   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   7     0.00   0.00   0.00     0.00  -0.00   0.00     0.01  -0.01  -0.00
     7   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   1    -0.01  -0.02   0.07    -0.01  -0.03   0.11     0.00  -0.01   0.01
     9   1    -0.11  -0.18   0.63    -0.11  -0.18   0.70    -0.00   0.00   0.00
    10   1    -0.12   0.72  -0.09     0.11  -0.66   0.07    -0.00  -0.00  -0.00
    11   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.58   0.79  -0.11
    12   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.13   0.02  -0.03
    13   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.02   0.04   0.07
    14   1     0.00   0.00  -0.01    -0.01   0.01  -0.02     0.00   0.00   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3497.5871              3570.1918              3795.9027
 Red. masses --      1.0501                 1.0935                 1.0663
 Frc consts  --      7.5686                 8.2123                 9.0522
 IR Inten    --      2.8299                19.2573                35.8904
 RamAct Fr= 1--     91.9667                44.7307                70.2197
  Dep-P Fr= 1--      0.0843                 0.6827                 0.1836
  Dep-U Fr= 1--      0.1555                 0.8115                 0.3102
 Alpha2 Fr= 1--      1.6730                 0.0530                 0.9957
 Beta2  Fr= 1--      2.3829                 6.0495                 3.6306
 AlphaG Fr= 1--     -0.2271                 0.0470                 0.3566
 Gamma2 Fr= 1--      3.6299                -6.6354                 1.7617
 Delta2 Fr= 1--      3.4262                -1.0011                 0.6194
 Raman1 Fr= 1--     367.867                178.923                280.879
 ROA1   Fr= 1--     458.104               -669.032                188.941
 CID1   Fr= 1--       1.245                 -3.739                  0.673
 Raman2 Fr= 1--      28.595                 72.594                 43.567
 ROA2   Fr= 1--      59.707               -151.240                 37.325
 CID2   Fr= 1--       2.088                 -2.083                  0.857
 Raman3 Fr= 1--      57.190                145.189                 87.133
 ROA3   Fr= 1--     458.104               -669.032                188.941
 CID3   Fr= 1--       8.010                 -4.608                  2.168
 RC180  Fr= 1--      -0.689                  0.623                 -0.380
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     3   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   8     0.01  -0.01   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.02   0.03  -0.05
     6   7    -0.04   0.03   0.02    -0.05  -0.02  -0.06    -0.00   0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     8   1     0.00  -0.00  -0.01    -0.00  -0.00   0.01     0.00   0.00  -0.00
     9   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01   0.01
    10   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    11   1    -0.09   0.12  -0.01    -0.01   0.02  -0.00     0.00   0.00  -0.00
    12   1     0.73  -0.13   0.21     0.59  -0.11   0.14     0.00   0.00   0.00
    13   1    -0.16  -0.32  -0.50     0.17   0.41   0.65     0.00   0.00   0.00
    14   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.29  -0.43   0.85

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  7 and mass  14.00307
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   105.04259 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   400.92143 988.456541232.67619
           X            0.99980   0.01890  -0.00715
           Y           -0.01871   0.99950   0.02538
           Z            0.00762  -0.02525   0.99965
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.21604     0.08763     0.07026
 Rotational constants (GHZ):           4.50148     1.82582     1.46408
 Zero-point vibrational energy     298478.3 (Joules/Mol)
                                   71.33803 (Kcal/Mol)
 Warning -- explicit consideration of   9 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    119.11   186.11   276.71   449.65   461.50
          (Kelvin)            490.99   523.79   625.90   816.02   953.07
                             1050.05  1231.11  1249.23  1278.38  1361.81
                             1438.82  1530.24  1615.10  1639.87  1756.38
                             1859.34  1875.64  1964.51  1994.01  2029.37
                             2037.71  2164.13  2395.47  2645.63  4341.27
                             4390.16  4461.11  4954.77  5032.25  5136.71
                             5461.46
 
 Zero-point correction=                           0.113684 (Hartree/Particle)
 Thermal correction to Energy=                    0.121153
 Thermal correction to Enthalpy=                  0.122097
 Thermal correction to Gibbs Free Energy=         0.081937
 Sum of electronic and zero-point Energies=           -399.040194
 Sum of electronic and thermal Energies=              -399.032725
 Sum of electronic and thermal Enthalpies=            -399.031781
 Sum of electronic and thermal Free Energies=         -399.071941
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   76.025             26.614             84.526
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.865
 Rotational               0.889              2.981             27.682
 Vibrational             74.247             20.653             16.979
 Vibration     1          0.600              1.961              3.824
 Vibration     2          0.612              1.924              2.956
 Vibration     3          0.634              1.851              2.205
 Vibration     4          0.701              1.650              1.349
 Vibration     5          0.706              1.634              1.306
 Vibration     6          0.721              1.593              1.206
 Vibration     7          0.738              1.546              1.105
 Vibration     8          0.796              1.394              0.842
 Vibration     9          0.923              1.102              0.510
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.205045D-37        -37.688150        -86.780173
 Total V=0       0.400859D+15         14.602991         33.624630
 Vib (Bot)       0.193673D-50        -50.712931       -116.770839
 Vib (Bot)    1  0.248665D+01          0.395615          0.910936
 Vib (Bot)    2  0.157632D+01          0.197645          0.455093
 Vib (Bot)    3  0.103975D+01          0.016929          0.038980
 Vib (Bot)    4  0.604172D+00         -0.218840         -0.503897
 Vib (Bot)    5  0.585789D+00         -0.232259         -0.534796
 Vib (Bot)    6  0.543689D+00         -0.264650         -0.609379
 Vib (Bot)    7  0.502110D+00         -0.299201         -0.688936
 Vib (Bot)    8  0.398951D+00         -0.399080         -0.918916
 Vib (Bot)    9  0.272118D+00         -0.565242         -1.301519
 Vib (V=0)       0.378626D+02          1.578211          3.633964
 Vib (V=0)    1  0.303642D+01          0.482362          1.110679
 Vib (V=0)    2  0.215372D+01          0.333189          0.767196
 Vib (V=0)    3  0.165372D+01          0.218463          0.503030
 Vib (V=0)    4  0.128423D+01          0.108644          0.250163
 Vib (V=0)    5  0.127016D+01          0.103859          0.239144
 Vib (V=0)    6  0.123865D+01          0.092947          0.214019
 Vib (V=0)    7  0.120860D+01          0.082283          0.189463
 Vib (V=0)    8  0.113966D+01          0.056774          0.130728
 Vib (V=0)    9  0.106925D+01          0.029080          0.066960
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.423157D+08          7.626502         17.560670
 Rotational      0.250195D+06          5.398279         12.429996
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3       3 3 3           33 3                                      1     1    1 111111  1 11 1 1                                 
     7       5 4 4           10 0                                      8     6    5 443332  2 11 0 0 9888   7 6   5   43333   1 1    
     9       7 9 4           05 1                                      3     6    0 118609  2 42 6 0 4865   3 6   6   36421   9 2 8  
     6       0 8 4           11 7                                      9     5    4 606542  1 03 4 0 7986   0 2   7   54113   2 9 3  
 
     X       X X X           XX X                                      X     X    X XXXXXX  X XX X X XXXX   X X   X   XXXXX   X X X  
     X           X                                                     X     X      XX X       X X X XXXX             XX X           
                 X                                                     X            XX           X   XX X              X X           
                 X                                                     X            XX           X    X X                            
                 X                                                     X             X           X                                   
                 X                                                     X             X           X                                   
                 X                                                     X             X           X                                   
                 X                                                     X             X           X                                   
                 X                                                     X             X                                               
                 X                                                     X             X                                               
                 X                                                     X             X                                               
                 X                                                     X             X                                               
                 X                                                     X             X                                               
                 X                                                     X             X                                               
                 X                                                     X             X                                               
                                                                       X             X                                               
                                                                       X             X                                               
                                                                       X             X                                               
                                                                       X             X                                               
                                                                                     X                                               
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000001856   -0.000003788    0.000005794
      2        6          -0.000016038   -0.000006050   -0.000010356
      3        6           0.000010476    0.000014807   -0.000019407
      4        8          -0.000016047   -0.000015316    0.000014693
      5        8           0.000014336    0.000008169   -0.000001392
      6        7           0.000028371    0.000021460    0.000019170
      7        8          -0.000001014   -0.000005271    0.000004152
      8        1           0.000007017    0.000002350    0.000007498
      9        1          -0.000007104   -0.000007777   -0.000004558
     10        1          -0.000004017   -0.000004428   -0.000000720
     11        1          -0.000000538    0.000007429    0.000000216
     12        1          -0.000004693   -0.000004192   -0.000006430
     13        1          -0.000008458    0.000001577   -0.000002304
     14        1          -0.000000436   -0.000008972   -0.000006356
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000028371 RMS     0.000010276
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.652613D+02 -0.181358D+01 -0.204236D+01
      2  -0.181358D+01  0.627572D+02 -0.277160D+01
      3  -0.204236D+01 -0.277160D+01  0.515212D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.262270D+01  0.925208D+00 -0.108665D+01
      2  -0.243687D+01 -0.562248D+01 -0.103380D+02
      3   0.667772D+01 -0.184939D+01  0.372793D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.300695D+02 -0.132483D+02 -0.817355D+01
      2   0.193282D+02  0.103266D+02  0.361752D+01
      3   0.107413D+02  0.292169D+01  0.455603D+01
      4  -0.106842D+02  0.798099D+01 -0.152165D+02
      5  -0.742841D+00 -0.162816D+02 -0.163439D+02
      6  -0.697673D+01  0.970970D+01  0.563998D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.947955D+00 -0.137612D+01 -0.103985D+01 -0.361885D+01 -0.205674D+01
      2  -0.137612D+01 -0.290533D+01 -0.548623D+00 -0.205674D+01  0.528561D+01
      3  -0.103985D+01 -0.548623D+00 -0.260287D+01 -0.676547D+00 -0.349304D+00
                 6             7             8             9            10 
      1  -0.676547D+00 -0.300472D+01 -0.533827D+00 -0.184240D+01  0.139258D+00
      2  -0.349304D+00 -0.533827D+00 -0.119394D+01 -0.161493D+01  0.200677D+01
      3  -0.206664D+01 -0.184240D+01 -0.161493D+01  0.597938D+01  0.204264D+01
                11            12            13            14            15 
      1   0.200677D+01  0.204264D+01  0.334363D+01  0.130061D+01  0.343575D+00
      2   0.157816D+01  0.217413D+00  0.130061D+01 -0.227280D+01 -0.519686D+00
      3   0.217413D+00  0.125891D+01  0.343575D+00 -0.519686D+00  0.287056D+01
                16            17            18            19            20 
      1   0.302165D+01 -0.813696D-01  0.182417D+01  0.145581D+01 -0.708677D-01
      2  -0.813696D-01 -0.803942D-01  0.347657D+01 -0.708677D-01 -0.171798D+01
      3   0.182417D+01  0.347657D+01 -0.605827D+01 -0.135440D+01  0.115873D+01
                21            22            23            24            25 
      1  -0.135440D+01  0.178282D+01 -0.254447D+01  0.145243D+01 -0.688075D-01
      2   0.115873D+01 -0.254447D+01  0.420732D+01 -0.659104D+00  0.166297D+01
      3   0.328385D+00  0.145243D+01 -0.659104D+00  0.763673D-01 -0.212536D+00
                26            27            28            29            30 
      1   0.166297D+01 -0.212536D+00  0.622124D+01  0.889634D+00 -0.212438D+01
      2  -0.721552D+00 -0.476813D+00  0.889634D+00  0.282645D+01 -0.499343D+00
      3  -0.476813D+00  0.542133D+00 -0.212438D+01 -0.499343D+00  0.128584D+01
                31            32            33            34            35 
      1  -0.152378D+01  0.335497D+01  0.424406D+00 -0.175134D+01 -0.818804D+00
      2   0.335497D+01  0.503986D+00 -0.690544D+00 -0.818804D+00 -0.380881D+00
      3   0.424406D+00 -0.690544D+00  0.139911D+00  0.150196D+01  0.137529D+01
                36            37            38            39            40 
      1   0.150196D+01 -0.720552D+01  0.502528D+00 -0.145685D+01  0.240589D+01
      2   0.137529D+01  0.502528D+00  0.925786D-01 -0.402375D+00 -0.733189D+00
      3  -0.269640D+01 -0.145685D+01 -0.402375D+00  0.116417D+01 -0.716316D+00
                41            42            43            44            45 
      1  -0.733189D+00 -0.716316D+00 -0.278576D+01 -0.673814D+00  0.445394D+00
      2   0.700090D+00 -0.660735D+00 -0.673814D+00 -0.113878D+01  0.140479D+01
      3  -0.660735D+00  0.190193D+01  0.445394D+00  0.140479D+01 -0.387148D+01
                46            47            48            49            50 
      1   0.411668D+01 -0.510955D+00 -0.703249D-03 -0.480697D+00 -0.319890D+00
      2  -0.510955D+00  0.157326D+00 -0.974725D-02 -0.319890D+00  0.350969D+01
      3  -0.703249D-03 -0.974725D-02 -0.127680D+01 -0.374630D+00 -0.142235D+01
                51            52            53            54            55 
      1  -0.374630D+00  0.101499D+00 -0.386773D+00 -0.124640D+01  0.474076D+01
      2  -0.142235D+01 -0.386773D+00 -0.316177D+01 -0.202826D+01 -0.386406D+01
      3  -0.207594D+01 -0.124640D+01 -0.202826D+01 -0.215895D+01  0.147358D+01
                56            57            58            59            60 
      1  -0.386406D+01  0.147358D+01 -0.496654D+01  0.356055D+01 -0.786937D+00
      2   0.323926D+01 -0.946521D+00  0.356055D+01 -0.105188D+02  0.163729D+01
      3  -0.946521D+00  0.968408D+00 -0.786937D+00  0.163729D+01 -0.225592D+01
                61            62            63            64            65 
      1   0.113408D+01 -0.672754D+00  0.195187D+01 -0.515002D+00 -0.766508D+00
      2  -0.672754D+00  0.122170D+01 -0.281809D+01 -0.766508D+00 -0.573994D+00
      3   0.195187D+01 -0.281809D+01  0.209371D+01  0.117011D+01  0.938365D-01
                66            67            68            69            70 
      1   0.117011D+01 -0.122198D+01 -0.571749D+00  0.203290D+00  0.124968D+01
      2   0.938365D-01 -0.571749D+00 -0.126084D+01  0.168912D+01  0.188000D+00
      3  -0.114057D+01  0.203290D+00  0.168912D+01 -0.206004D+01 -0.931646D+00
                71            72            73            74            75 
      1   0.188000D+00 -0.931646D+00  0.863922D-01  0.383393D+00 -0.974863D+00
      2   0.225834D+01 -0.205104D+01  0.383393D+00  0.353902D+00  0.650584D-01
      3  -0.205104D+01  0.816392D+01 -0.974863D+00  0.650584D-01  0.104428D+01
                76            77            78            79            80 
      1   0.118198D+01  0.390281D+00  0.732190D-01 -0.147461D+01 -0.891355D-01
      2   0.390281D+00  0.913900D-01 -0.103146D+01 -0.891355D-01 -0.121353D+01
      3   0.732190D-01 -0.103146D+01  0.163279D+01  0.139681D+00  0.241118D+00
                81            82            83            84            85 
      1   0.139681D+00  0.837968D+00 -0.102137D+01  0.188074D+00 -0.139735D+01
      2   0.241118D+00 -0.102137D+01  0.990205D+00  0.201814D+00  0.488120D+00
      3  -0.802633D+01  0.188074D+00  0.201814D+00  0.462279D+00  0.560139D-01
                86            87            88            89            90 
      1   0.488120D+00  0.560139D-01  0.888626D+00  0.859226D-01  0.313552D+00
      2  -0.826668D+01 -0.567444D+00  0.859226D-01  0.522529D+00 -0.903541D+00
      3  -0.567444D+00 -0.946272D+00  0.313552D+00 -0.903541D+00 -0.463198D+00
                91            92            93            94            95 
      1  -0.274359D+01  0.162211D+01  0.990187D+00  0.335629D+01 -0.557690D+00
      2   0.162211D+01 -0.119344D+01  0.636114D-02 -0.557690D+00  0.377729D+01
      3   0.990187D+00  0.636114D-02 -0.323209D+00 -0.945232D+00 -0.832326D+00
                96            97            98            99           100 
      1  -0.945232D+00  0.177484D+00 -0.117542D+00  0.203939D+00 -0.615948D+01
      2  -0.832326D+00 -0.117542D+00 -0.864219D+00  0.760186D+00  0.208908D+01
      3   0.134332D+01  0.203939D+00  0.760186D+00 -0.131330D+01 -0.676409D+00
               101           102           103           104           105 
      1   0.208908D+01 -0.676409D+00  0.188734D+01 -0.145676D+01 -0.890781D-01
      2  -0.293915D+01 -0.939538D-01 -0.145676D+01  0.128744D+01  0.248915D-01
      3  -0.939538D-01 -0.103214D+01 -0.890781D-01  0.248915D-01  0.491822D+00
               106           107           108           109           110 
      1  -0.157017D+01  0.196564D+00 -0.276908D+00  0.434580D+00  0.717041D+00
      2   0.196564D+00 -0.468687D+00  0.530438D+00  0.717041D+00  0.810247D+00
      3  -0.276908D+00  0.530438D+00 -0.325089D+00  0.467721D+00  0.374032D+00
               111           112           113           114           115 
      1   0.467721D+00  0.754219D+00  0.175896D+00  0.696999D-01  0.802561D+00
      2   0.374032D+00  0.175896D+00  0.398372D+01  0.235304D+01  0.341746D+00
      3   0.135813D+01  0.696999D-01  0.235304D+01  0.273004D+01  0.649382D+00
               116           117           118           119           120 
      1   0.341746D+00  0.649382D+00 -0.235706D+01 -0.600677D+00  0.129515D+01
      2   0.379519D+01  0.342706D+01 -0.600677D+00 -0.718231D+00  0.383319D+00
      3   0.342706D+01  0.392658D+01  0.129515D+01  0.383319D+00 -0.149482D+01
               121           122           123           124           125 
      1  -0.150298D+01 -0.102995D+01  0.966104D+00  0.327984D+01  0.898813D+00
      2  -0.102995D+01 -0.102736D+01  0.102860D+01  0.898813D+00  0.142599D+01
      3   0.966104D+00  0.102860D+01 -0.178194D+01 -0.252005D+01 -0.132277D+01
               126 
      1  -0.252005D+01
      2  -0.132277D+01
      3   0.420731D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.721695D+00  0.122190D+01 -0.147591D+01 -0.950950D+00 -0.587189D+01
      2   0.896106D+00  0.158553D+00  0.212717D+01  0.125805D+01 -0.894703D+00
      3  -0.249433D+01  0.104331D+00  0.531186D+00  0.454750D+01  0.804667D+01
                 6             7             8             9            10 
      1  -0.396662D+01 -0.869401D+00  0.123747D+01  0.627113D+01  0.903101D+00
      2   0.166883D+01 -0.208824D+01  0.504063D+00 -0.713734D+01  0.672377D+01
      3   0.918775D+00  0.115460D+01 -0.323725D+00 -0.180114D+00 -0.576013D+00
                11            12            13            14            15 
      1   0.262465D+00 -0.354020D+00 -0.238416D+01 -0.102266D+01  0.120234D+01
      2   0.245077D+00  0.340038D+01 -0.191030D+01 -0.173878D+00 -0.803738D+00
      3  -0.627117D+01 -0.149032D+01 -0.651879D-01 -0.226218D+01  0.184964D+01
                16            17            18            19            20 
      1   0.278856D+00  0.374769D+01  0.386705D+00  0.153558D+01  0.121012D+01
      2  -0.516350D+01  0.265890D-01  0.133308D+01 -0.100180D+02 -0.900417D+00
      3  -0.863362D+00 -0.148252D+00  0.295398D+00  0.655882D+01  0.157840D+01
                21            22            23            24            25 
      1  -0.283834D+01  0.264633D+01  0.605800D+01  0.442020D+01  0.693030D+00
      2  -0.347222D+01 -0.383026D+01 -0.387089D+00  0.384837D+01 -0.142850D+02
      3   0.477224D+00  0.541430D+01 -0.983689D+01 -0.207432D+01  0.311098D+01
                26            27            28            29            30 
      1   0.599085D+01 -0.643137D+01  0.249796D+01 -0.451718D+01 -0.242363D+01
      2   0.170155D+01  0.489181D+01  0.376281D+01 -0.286157D+01  0.598283D+01
      3  -0.165922D+01 -0.114625D+01  0.683989D+01 -0.129131D+02 -0.471389D+00
                31            32            33            34            35 
      1  -0.455067D+01  0.146045D+01 -0.229918D+01 -0.132586D+01  0.295063D+01
      2  -0.107575D+01  0.639592D+00  0.205892D-01  0.321530D+01  0.156525D+01
      3  -0.872112D+01  0.400543D+01  0.315893D+01 -0.195937D+01  0.152272D+01
                36            37            38            39            40 
      1   0.205090D+01 -0.542510D+00 -0.495292D-01 -0.340006D-01  0.144163D+01
      2  -0.600193D+01  0.150998D+01  0.201117D+01  0.273396D+01  0.196332D+01
      3  -0.175779D+01  0.693607D+01 -0.709273D+01 -0.181415D+01  0.121577D+01
                41            42            43            44            45 
      1   0.520616D+00 -0.197020D+01 -0.977603D+00  0.195535D+01 -0.224673D+01
      2   0.171841D+01 -0.523224D+01 -0.711651D+01 -0.406907D+01  0.113702D+02
      3   0.446677D+01 -0.220033D+01 -0.162688D+01 -0.329505D+01  0.422601D+01
                46            47            48            49            50 
      1  -0.150332D+01  0.418325D+00  0.235944D+01  0.104885D+01  0.684281D+01
      2  -0.542108D+00 -0.165249D+00  0.339318D+01  0.207503D+00  0.506914D+00
      3   0.112143D+02 -0.717453D+01  0.125684D+01  0.370306D+01  0.105818D+01
                51            52            53            54            55 
      1  -0.170701D+01  0.179347D+01  0.895536D+01  0.575804D+01 -0.683546D+00
      2   0.852355D+00 -0.333207D+01  0.642070D+00  0.141167D+00  0.160069D+01
      3  -0.127182D+01  0.164577D+01 -0.802540D+00 -0.288959D+01 -0.820987D+00
                56            57            58            59            60 
      1   0.123548D+01  0.414032D+01 -0.149988D+00 -0.271700D+01 -0.872542D+01
      2  -0.316138D+00  0.601340D+01  0.383019D+01  0.193576D+01 -0.553973D+01
      3  -0.706645D+01  0.984496D+00  0.467711D+01  0.164869D+02 -0.149755D+01
                61            62            63            64            65 
      1  -0.229558D+00  0.217577D+01  0.222664D+01 -0.125597D+00 -0.556814D+00
      2   0.215031D+01 -0.440605D+01  0.181171D+01 -0.487938D-02  0.125410D+00
      3  -0.796056D+00 -0.126443D+01  0.455083D+01 -0.747143D+00 -0.458328D+00
                66            67            68            69            70 
      1  -0.169483D+00  0.216371D+00 -0.142501D+01 -0.396550D+00 -0.199983D+00
      2   0.638392D+00  0.809260D+00  0.434148D-02  0.706691D+00 -0.286352D+01
      3   0.329441D+00  0.199403D+01 -0.212628D+00  0.318357D-01 -0.845790D+00
                71            72            73            74            75 
      1   0.370246D+01  0.881155D+00 -0.146301D+01 -0.674084D+00  0.604373D+00
      2   0.473409D+00 -0.129561D+01  0.195147D+01  0.287102D+00 -0.970043D+00
      3   0.948827D+00 -0.229838D+00  0.164102D+00 -0.762030D+00  0.663627D+00
                76            77            78            79            80 
      1  -0.439742D+00 -0.122394D+01  0.112511D+01  0.227293D+00  0.366160D+01
      2   0.108068D+01  0.156467D+01 -0.185331D+01 -0.409125D+01 -0.525121D+00
      3   0.379152D+00 -0.111086D+00 -0.120294D+01  0.674797D+00 -0.993161D+00
                81            82            83            84            85 
      1  -0.657025D+01  0.137944D+01 -0.388386D+00  0.645245D+00 -0.261483D+00
      2   0.878195D+01  0.359582D+00 -0.555858D+00  0.459488D+00 -0.887548D+00
      3   0.940429D-02 -0.369615D+01  0.150734D+01 -0.365835D+00  0.507264D+01
                86            87            88            89            90 
      1   0.451895D+01 -0.325100D+01  0.433824D+00 -0.392001D+00  0.761704D-01
      2   0.132718D+01  0.816968D+00 -0.867923D+00  0.875330D+00  0.636385D+00
      3  -0.911895D+01 -0.699158D+00 -0.123033D+01  0.352905D+00 -0.126534D+01
                91            92            93            94            95 
      1  -0.377156D+01  0.379075D+01  0.312044D+00  0.425786D+01 -0.296083D+01
      2  -0.376036D+01  0.260062D+01 -0.155269D+01  0.187049D+01 -0.299690D+01
      3  -0.877891D+01  0.846623D+01  0.153342D+01  0.103864D+02 -0.105361D+02
                96            97            98            99           100 
      1  -0.204050D+01  0.373952D-01  0.768311D+00  0.112792D+01  0.240023D+01
      2   0.190812D+01 -0.190614D+01  0.167031D+01  0.351934D-01  0.888395D+00
      3  -0.687577D+00  0.929575D+00 -0.445765D-01 -0.696924D+00 -0.134096D+02
               101           102           103           104           105 
      1  -0.881384D+00  0.256316D+01 -0.423283D-01  0.763644D+00 -0.974436D+00
      2  -0.427751D+00  0.206945D+01 -0.178311D-01  0.437174D+00 -0.788259D+00
      3   0.775572D-01 -0.158793D+01  0.240074D+01 -0.204682D+01 -0.573709D+00
               106           107           108           109           110 
      1   0.293915D+00 -0.311944D+00  0.805572D+00 -0.276569D+00 -0.963879D+00
      2  -0.410591D+00 -0.464126D+00  0.370683D+00 -0.356347D+00 -0.117629D+00
      3  -0.358946D+01  0.988436D-02  0.186507D+00  0.858951D+00  0.801616D+00
               111           112           113           114           115 
      1  -0.288939D+01  0.562095D-01 -0.334575D+01 -0.592019D+01 -0.106267D+01
      2  -0.215719D+00 -0.590890D+00 -0.776843D+00 -0.855951D+00 -0.198856D+01
      3   0.308527D+00  0.271585D+01  0.121313D+01  0.600515D+00  0.196999D+01
               116           117           118           119           120 
      1  -0.424941D+01 -0.752928D+01  0.371510D+00 -0.107788D+00 -0.439819D+00
      2  -0.103206D+01 -0.902556D+00 -0.403117D+01 -0.146944D+01  0.515357D+01
      3   0.151296D+01  0.229227D+01 -0.114527D+01 -0.217514D+01  0.103325D+01
               121           122           123           124           125 
      1   0.132096D+00 -0.211291D+00 -0.125769D+01  0.353205D-02  0.118591D+01
      2  -0.270691D+01 -0.290462D+01  0.525129D+01  0.611747D+01  0.394452D+01
      3  -0.109005D+01 -0.205911D+01  0.262644D+01  0.142553D+01  0.418365D+01
               126 
      1   0.180501D+01
      2  -0.130135D+02
      3  -0.339457D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.189858D+02 -0.174573D+01 -0.179646D+01  0.447264D+01  0.158945D+02
      2   0.896524D+01  0.443731D+01 -0.153669D+01 -0.358780D+00 -0.218542D+02
      3   0.100205D+02 -0.269159D+01  0.333315D+01 -0.411386D+01  0.595973D+01
      4   0.100094D+01  0.593410D+00  0.149204D+01  0.816427D+01 -0.689171D+01
      5  -0.606127D+00  0.545659D+00 -0.107019D+01  0.158199D+01  0.997059D+00
      6   0.285731D+01  0.238667D+01  0.245575D+01  0.158222D+01 -0.412521D+00
                 6             7             8             9            10 
      1  -0.582710D+00  0.362824D+01 -0.796422D+00  0.129811D+02 -0.421158D+01
      2  -0.234377D+01 -0.235105D+01 -0.923131D+00  0.427595D+01  0.402186D+01
      3   0.292648D+01 -0.127719D+01  0.171955D+01 -0.172570D+02  0.189719D+00
      4   0.714983D+00  0.440723D+01  0.292513D+01  0.583990D+01 -0.414998D+01
      5   0.335672D+01  0.498936D+01  0.268526D+01 -0.109176D+02  0.649284D+00
      6   0.279062D+01  0.262142D+01  0.160815D+01 -0.230733D+01 -0.115083D+01
                11            12            13            14            15 
      1  -0.206265D+01 -0.410014D+00  0.965260D+00  0.501266D+01 -0.521803D+01
      2   0.387166D+01 -0.142270D+01  0.118300D+01 -0.429181D+01 -0.352443D+01
      3  -0.180901D+01  0.183271D+01 -0.214826D+01 -0.720858D+00  0.874246D+01
      4   0.253848D+01 -0.297122D+01 -0.800706D+01 -0.136793D+00  0.169848D+01
      5  -0.101121D+01  0.194041D+01  0.447398D-01  0.160421D+01 -0.196997D+01
      6  -0.231933D+01  0.139437D+00  0.226723D+01  0.121952D+01 -0.938273D+01
                16            17            18            19            20 
      1  -0.382695D+01 -0.375855D+01  0.336774D+01 -0.173494D+01 -0.544413D+01
      2  -0.133781D+01 -0.443251D+01  0.123471D+02 -0.210467D+01  0.848675D+01
      3   0.516476D+01  0.819106D+01 -0.157149D+02  0.383961D+01 -0.304262D+01
      4  -0.287214D+01 -0.242498D+01 -0.439979D+01  0.708997D+01 -0.154192D+02
      5  -0.184894D+01 -0.253412D+01  0.777839D+01 -0.155674D+01  0.665259D+01
      6  -0.308268D+01  0.335341D+00  0.561113D+01  0.124042D+01  0.380592D+00
                21            22            23            24            25 
      1  -0.153580D+01  0.448319D+01 -0.107236D+01  0.916377D+00 -0.322389D+01
      2  -0.322893D+01 -0.128453D+01 -0.114505D+02 -0.544790D+01  0.913177D+00
      3   0.476473D+01 -0.319866D+01  0.125229D+02  0.453152D+01  0.231071D+01
      4   0.559371D+01 -0.218008D+02  0.204673D+02 -0.303622D+01  0.926049D+01
      5  -0.843565D+01  0.101287D+02 -0.393707D+01  0.718100D+01 -0.200152D+01
      6   0.313487D+01 -0.118586D+01  0.416179D+01 -0.769960D+01  0.992810D+00
                26            27            28            29            30 
      1   0.320938D+01 -0.417271D+01  0.297518D+02  0.369965D+01 -0.491471D+01
      2   0.268414D+01 -0.217887D+01 -0.182667D+02  0.759749D+00  0.733744D+01
      3  -0.589352D+01  0.635158D+01 -0.114851D+02 -0.445940D+01 -0.242272D+01
      4   0.149138D+01  0.283527D+01  0.164408D+02  0.163430D+02 -0.545390D+01
      5   0.185495D+01  0.298237D+01 -0.104898D+02 -0.405064D+01  0.138706D+02
      6   0.351806D+01  0.507406D+01 -0.290015D+01 -0.195321D+01  0.420728D+01
                31            32            33            34            35 
      1  -0.511933D+01  0.666680D+01  0.205692D+01 -0.619350D-01 -0.300232D+00
      2   0.697097D+01  0.640016D+00 -0.159326D+00  0.215572D+01  0.543499D+00
      3  -0.185165D+01 -0.730682D+01 -0.189760D+01 -0.209378D+01 -0.243268D+00
      4   0.144216D+02  0.898462D+01 -0.212370D+01 -0.494875D+01 -0.425537D+01
      5  -0.159237D+01 -0.380477D+01  0.148652D+01  0.133599D+02  0.573632D+01
      6  -0.788201D+00 -0.214259D+01  0.744702D+01  0.264816D+01  0.592665D+01
                36            37            38            39            40 
      1   0.559453D+00  0.483188D+02 -0.235233D+01  0.697636D+01 -0.122569D+02
      2  -0.958601D+01 -0.248944D+02  0.913559D+00 -0.356539D+01  0.790644D+01
      3   0.902656D+01 -0.234244D+02  0.143877D+01 -0.341097D+01  0.435050D+01
      4   0.660230D+01  0.207633D+01  0.992955D+01  0.452431D+01  0.704389D+01
      5  -0.139371D+02  0.100250D+02  0.325836D+01  0.481139D+01  0.346684D+01
      6  -0.427469D+01  0.158554D+01  0.515557D+00 -0.102655D+01  0.241746D+01
                41            42            43            44            45 
      1   0.121532D+01  0.283451D+01  0.105234D+02  0.211284D+01 -0.375183D+01
      2   0.398453D+01 -0.852053D+00 -0.723237D+01 -0.437320D+00 -0.179246D+01
      3  -0.519985D+01 -0.198246D+01 -0.329104D+01 -0.167552D+01  0.554430D+01
      4  -0.326055D+01  0.489949D+01  0.624320D+01  0.599075D+01 -0.805272D+01
      5   0.485494D+01 -0.888759D+01  0.120793D+01 -0.770419D+01  0.201877D+02
      6   0.181678D+01  0.127885D+01 -0.183543D+01  0.153185D+01  0.563062D+01
                46            47            48            49            50 
      1   0.277240D+00  0.338218D+01 -0.246150D+01  0.168245D+01 -0.125694D+02
      2  -0.279377D+01 -0.120586D+01  0.268781D+01 -0.136829D+01  0.231650D+02
      3   0.251653D+01 -0.217631D+01 -0.226307D+00 -0.314157D+00 -0.105956D+02
      4   0.132246D+02 -0.192436D+01  0.100316D+01  0.382051D+01 -0.171164D+01
      5  -0.147122D+01 -0.639784D+00  0.596421D+01 -0.596427D+00 -0.166105D+00
      6   0.157167D+01 -0.687020D+00 -0.530879D+01 -0.371181D+01 -0.109272D+02
                51            52            53            54            55 
      1   0.757085D+01 -0.300415D+00  0.918166D+01  0.513272D+01  0.217116D+02
      2  -0.589477D+01  0.211031D+01 -0.825152D+01 -0.880396D+01 -0.745388D+01
      3  -0.167608D+01 -0.180989D+01 -0.930144D+00  0.367124D+01 -0.142577D+02
      4  -0.138330D+01  0.236835D+01  0.121543D+01 -0.199357D+01 -0.237345D+02
      5   0.102868D+01  0.463637D+01  0.556091D+00 -0.110738D+01  0.877046D+01
      6  -0.208845D+00 -0.418835D+01 -0.673691D+01 -0.131633D+02 -0.258257D+01
                56            57            58            59            60 
      1  -0.881957D+01  0.313674D+01 -0.826484D+01 -0.913828D+01  0.152860D+01
      2  -0.236308D+01 -0.230970D+01 -0.236464D+01  0.299510D+02 -0.319249D+00
      3   0.111826D+02 -0.827034D+00  0.106295D+02 -0.208127D+02 -0.120935D+01
      4   0.249894D+02 -0.543396D+01  0.285152D+02 -0.437125D+02  0.697231D+01
      5  -0.623033D+01  0.123447D+02 -0.564234D+01  0.897000D+01 -0.125185D+02
      6   0.183420D+01 -0.562308D+01  0.394496D+01 -0.509820D+01  0.130430D+02
                61            62            63            64            65 
      1   0.368188D+01  0.144903D+01 -0.819441D+00  0.580626D+00  0.460781D+00
      2  -0.227250D+01 -0.125740D+01 -0.145744D+01 -0.405021D+01 -0.124837D+01
      3  -0.140938D+01 -0.191632D+00  0.227688D+01  0.346959D+01  0.787588D+00
      4  -0.454128D+01  0.461069D+01 -0.120563D+02  0.121476D+01  0.220305D+01
      5   0.133318D+02 -0.119289D+02  0.930268D+01 -0.260280D+01 -0.159008D+01
      6  -0.612146D+01  0.114492D+02 -0.563119D+01 -0.161428D+01 -0.555370D+00
                66            67            68            69            70 
      1  -0.171617D+00 -0.163870D+00 -0.430137D+01  0.386489D+01  0.124789D+01
      2   0.198324D+01 -0.110831D+01 -0.514009D+00  0.263361D+01  0.224792D+01
      3  -0.181163D+01  0.127218D+01  0.481538D+01 -0.649850D+01 -0.349581D+01
      4  -0.105435D+01  0.373606D+01  0.183886D+01 -0.184516D+01 -0.126755D+01
      5   0.703914D+01 -0.197788D+01 -0.184511D+01  0.260280D+01  0.606012D+01
      6   0.602293D+00 -0.138093D+01 -0.505635D+01  0.878027D+01  0.167593D+01
                71            72            73            74            75 
      1   0.301110D+01 -0.165135D+02  0.520664D+00 -0.620247D+00  0.395392D+01
      2   0.483396D+01 -0.171990D+02 -0.354459D+01 -0.191248D-01 -0.819953D-01
      3  -0.784506D+01  0.337126D+02  0.302393D+01  0.639371D+00 -0.387192D+01
      4  -0.152760D+01  0.233434D+01 -0.744310D+00  0.325400D+00  0.707681D+00
      5   0.176567D+01 -0.712194D+01  0.839808D+00 -0.479293D+00  0.418334D+01
      6   0.642713D+01 -0.800861D+01  0.238189D-01 -0.845549D+00 -0.689163D+00
                76            77            78            79            80 
      1  -0.238367D+01 -0.444294D+01  0.194599D+01  0.471209D+01  0.209347D+00
      2   0.110317D+01  0.189312D+01  0.260480D+01 -0.181925D+01  0.186677D+01
      3   0.128050D+01  0.254982D+01 -0.455079D+01 -0.289283D+01 -0.207611D+01
      4  -0.674404D+00 -0.704210D+00  0.248514D+01  0.138852D+01  0.228068D+01
      5  -0.662590D+00  0.199918D+01 -0.317071D+01  0.438734D+01 -0.509202D+00
      6   0.175175D-01 -0.932147D+00  0.385549D+01 -0.160842D+00  0.438400D+01
                81            82            83            84            85 
      1  -0.176296D+02 -0.158888D+01  0.478369D+01  0.145590D+00  0.549951D+01
      2  -0.130932D+02  0.411754D+01 -0.437431D+01  0.216138D+00 -0.414691D+01
      3   0.307228D+02 -0.252866D+01 -0.409385D+00 -0.361728D+00 -0.135260D+01
      4  -0.211515D+01  0.728171D+00  0.387989D+01 -0.123710D+00  0.432497D+01
      5   0.146023D+02 -0.503138D+00  0.735480D+00  0.564329D+00  0.911370D+00
      6   0.549456D+01  0.104023D+00 -0.728485D+00 -0.857959D+00 -0.426277D+00
                86            87            88            89            90 
      1  -0.217722D+02 -0.205220D+01 -0.134998D+01  0.399354D+00 -0.479806D+01
      2   0.351199D+02  0.138664D+01  0.115685D+01 -0.146469D+01  0.275676D+01
      3  -0.133477D+02  0.665560D+00  0.193123D+00  0.106533D+01  0.204130D+01
      4   0.147209D+02  0.837800D+00 -0.701367D+00 -0.122410D+01  0.104194D+01
      5   0.240865D+00  0.160146D+01  0.331649D+00  0.175816D+01  0.761056D+00
      6   0.549286D+01  0.564212D+01 -0.820034D+00  0.566639D+01  0.229376D+00
                91            92            93            94            95 
      1  -0.106143D+02  0.394974D+01  0.998303D+00  0.924247D+01 -0.787848D+01
      2   0.873048D+01 -0.146283D+01 -0.262535D+01 -0.547289D+01  0.931343D+01
      3   0.188385D+01 -0.248691D+01  0.162705D+01 -0.376957D+01 -0.143494D+01
      4  -0.146062D+01 -0.204767D+01  0.193247D+01  0.446485D+01  0.998416D+01
      5   0.286487D+01  0.462050D+00 -0.369498D+01 -0.234943D+01 -0.181028D+01
      6   0.210401D+01  0.392850D+00  0.228115D+00 -0.217993D+01 -0.435538D+01
                96            97            98            99           100 
      1   0.575164D+00  0.102070D+01  0.252094D+01 -0.294565D+01  0.112740D+02
      2  -0.363187D+00 -0.832116D+00 -0.207639D+01  0.113910D+01 -0.813808D+00
      3  -0.211977D+00 -0.188580D+00 -0.444544D+00  0.180655D+01 -0.104602D+02
      4  -0.390025D+01  0.274400D+00 -0.123263D+01  0.131069D+01 -0.199850D+02
      5   0.392746D+01  0.898382D+00  0.143015D+01 -0.665207D+00 -0.735675D+00
      6   0.357939D+01  0.586103D-01  0.340732D+01 -0.371951D+01 -0.142665D+01
               101           102           103           104           105 
      1   0.847574D+00  0.264248D+01 -0.117097D+01  0.825776D+00  0.435696D-02
      2  -0.671064D+01 -0.575977D+00 -0.281066D+01  0.299913D+01 -0.298684D+00
      3   0.586306D+01 -0.206650D+01  0.398163D+01 -0.382491D+01  0.294327D+00
      4   0.127758D+02 -0.180573D+01  0.952726D+01 -0.579782D+01  0.166987D+00
      5   0.563379D+00  0.254583D+01  0.853252D+00 -0.196450D+00 -0.994324D+00
      6  -0.117183D+01 -0.394556D+01 -0.626173D+00  0.422907D+00  0.240970D+01
               106           107           108           109           110 
      1   0.112829D+01 -0.147584D+00  0.333150D-01 -0.101004D+01 -0.223148D+01
      2  -0.382070D+00 -0.746023D+00 -0.240687D+00  0.114700D+01  0.172181D+01
      3  -0.746215D+00  0.893607D+00  0.207372D+00 -0.136959D+00  0.509675D+00
      4  -0.437042D+01  0.991659D+00 -0.130146D+01  0.559833D+00  0.375221D+01
      5   0.238819D+01 -0.942333D+00  0.290197D+00  0.696458D+00  0.186281D+01
      6  -0.729881D+00  0.252335D+01 -0.949149D+00  0.258238D+01  0.335529D+01
               111           112           113           114           115 
      1  -0.211996D+01 -0.162598D+01 -0.127688D+02 -0.835999D+01 -0.202906D+01
      2   0.634814D+00  0.118127D+01  0.146640D+02  0.820023D+01  0.556036D+00
      3   0.148515D+01  0.444702D+00 -0.189523D+01  0.159761D+00  0.147302D+01
      4   0.271083D+01  0.393854D+01 -0.178573D+01 -0.745824D+00  0.289718D+01
      5   0.196840D+01  0.100968D+01 -0.118996D+01 -0.199544D+01  0.232209D+01
      6   0.508432D+01  0.614255D+00  0.157748D+02  0.154243D+02  0.275249D+01
               116           117           118           119           120 
      1  -0.127076D+02 -0.137041D+02  0.127258D+02  0.373440D+01 -0.716646D+01
      2   0.104045D+02  0.668740D+01 -0.656765D+01 -0.159757D+01  0.384886D+01
      3   0.230307D+01  0.701675D+01 -0.615815D+01 -0.213683D+01  0.331760D+01
      4  -0.106025D+01  0.431514D+00  0.592549D+01  0.481815D+01 -0.389294D+01
      5  -0.177655D+01 -0.110375D+01 -0.792279D+01 -0.285059D+01  0.948967D+01
      6   0.191164D+02  0.199456D+02 -0.239469D+01 -0.604359D+00  0.159904D+01
               121           122           123           124           125 
      1   0.584913D+01  0.249064D+01 -0.323700D+01 -0.137887D+02 -0.253554D+01
      2  -0.184796D+01  0.565396D-01  0.682625D+00  0.844873D+01  0.110383D+01
      3  -0.400118D+01 -0.254718D+01  0.255438D+01  0.533996D+01  0.143171D+01
      4   0.778637D+01  0.619155D+01 -0.678309D+01 -0.813787D+01 -0.778078D+01
      5  -0.517557D+01 -0.571651D+01  0.835186D+01  0.151987D+02  0.779511D+01
      6  -0.258682D+01 -0.273581D+01  0.456164D+01  0.437567D+01  0.360029D+01
               126 
      1   0.791329D+01
      2  -0.720215D+01
      3  -0.711145D+00
      4   0.952301D+01
      5  -0.230941D+02
      6  -0.670320D+01
 Leave Link  716 at Thu Aug 12 21:02:11 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.652613D+02 -0.181358D+01 -0.204236D+01
      2  -0.181358D+01  0.627572D+02 -0.277160D+01
      3  -0.204236D+01 -0.277160D+01  0.515212D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.262270D+01  0.925208D+00 -0.108665D+01
      2  -0.243687D+01 -0.562248D+01 -0.103380D+02
      3   0.667772D+01 -0.184939D+01  0.372793D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.300695D+02 -0.132483D+02 -0.817355D+01
      2   0.193282D+02  0.103266D+02  0.361752D+01
      3   0.107413D+02  0.292169D+01  0.455603D+01
      4  -0.106842D+02  0.798099D+01 -0.152165D+02
      5  -0.742841D+00 -0.162816D+02 -0.163439D+02
      6  -0.697673D+01  0.970970D+01  0.563998D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.947955D+00 -0.137612D+01 -0.103985D+01 -0.361885D+01 -0.205674D+01
      2  -0.137612D+01 -0.290533D+01 -0.548623D+00 -0.205674D+01  0.528561D+01
      3  -0.103985D+01 -0.548623D+00 -0.260287D+01 -0.676547D+00 -0.349304D+00
                 6             7             8             9            10 
      1  -0.676547D+00 -0.300472D+01 -0.533827D+00 -0.184240D+01  0.139258D+00
      2  -0.349304D+00 -0.533827D+00 -0.119394D+01 -0.161493D+01  0.200677D+01
      3  -0.206664D+01 -0.184240D+01 -0.161493D+01  0.597938D+01  0.204264D+01
                11            12            13            14            15 
      1   0.200677D+01  0.204264D+01  0.334363D+01  0.130061D+01  0.343575D+00
      2   0.157816D+01  0.217413D+00  0.130061D+01 -0.227280D+01 -0.519686D+00
      3   0.217413D+00  0.125891D+01  0.343575D+00 -0.519686D+00  0.287056D+01
                16            17            18            19            20 
      1   0.302165D+01 -0.813696D-01  0.182417D+01  0.145581D+01 -0.708677D-01
      2  -0.813696D-01 -0.803942D-01  0.347657D+01 -0.708677D-01 -0.171798D+01
      3   0.182417D+01  0.347657D+01 -0.605827D+01 -0.135440D+01  0.115873D+01
                21            22            23            24            25 
      1  -0.135440D+01  0.178282D+01 -0.254447D+01  0.145243D+01 -0.688075D-01
      2   0.115873D+01 -0.254447D+01  0.420732D+01 -0.659104D+00  0.166297D+01
      3   0.328385D+00  0.145243D+01 -0.659104D+00  0.763673D-01 -0.212536D+00
                26            27            28            29            30 
      1   0.166297D+01 -0.212536D+00  0.622124D+01  0.889634D+00 -0.212438D+01
      2  -0.721552D+00 -0.476813D+00  0.889634D+00  0.282645D+01 -0.499343D+00
      3  -0.476813D+00  0.542133D+00 -0.212438D+01 -0.499343D+00  0.128584D+01
                31            32            33            34            35 
      1  -0.152378D+01  0.335497D+01  0.424406D+00 -0.175134D+01 -0.818804D+00
      2   0.335497D+01  0.503986D+00 -0.690544D+00 -0.818804D+00 -0.380881D+00
      3   0.424406D+00 -0.690544D+00  0.139911D+00  0.150196D+01  0.137529D+01
                36            37            38            39            40 
      1   0.150196D+01 -0.720552D+01  0.502528D+00 -0.145685D+01  0.240589D+01
      2   0.137529D+01  0.502528D+00  0.925786D-01 -0.402375D+00 -0.733189D+00
      3  -0.269640D+01 -0.145685D+01 -0.402375D+00  0.116417D+01 -0.716316D+00
                41            42            43            44            45 
      1  -0.733189D+00 -0.716316D+00 -0.278576D+01 -0.673814D+00  0.445394D+00
      2   0.700090D+00 -0.660735D+00 -0.673814D+00 -0.113878D+01  0.140479D+01
      3  -0.660735D+00  0.190193D+01  0.445394D+00  0.140479D+01 -0.387148D+01
                46            47            48            49            50 
      1   0.411668D+01 -0.510955D+00 -0.703249D-03 -0.480697D+00 -0.319890D+00
      2  -0.510955D+00  0.157326D+00 -0.974725D-02 -0.319890D+00  0.350969D+01
      3  -0.703249D-03 -0.974725D-02 -0.127680D+01 -0.374630D+00 -0.142235D+01
                51            52            53            54            55 
      1  -0.374630D+00  0.101499D+00 -0.386773D+00 -0.124640D+01  0.474076D+01
      2  -0.142235D+01 -0.386773D+00 -0.316177D+01 -0.202826D+01 -0.386406D+01
      3  -0.207594D+01 -0.124640D+01 -0.202826D+01 -0.215895D+01  0.147358D+01
                56            57            58            59            60 
      1  -0.386406D+01  0.147358D+01 -0.496654D+01  0.356055D+01 -0.786937D+00
      2   0.323926D+01 -0.946521D+00  0.356055D+01 -0.105188D+02  0.163729D+01
      3  -0.946521D+00  0.968408D+00 -0.786937D+00  0.163729D+01 -0.225592D+01
                61            62            63            64            65 
      1   0.113408D+01 -0.672754D+00  0.195187D+01 -0.515002D+00 -0.766508D+00
      2  -0.672754D+00  0.122170D+01 -0.281809D+01 -0.766508D+00 -0.573994D+00
      3   0.195187D+01 -0.281809D+01  0.209371D+01  0.117011D+01  0.938365D-01
                66            67            68            69            70 
      1   0.117011D+01 -0.122198D+01 -0.571749D+00  0.203290D+00  0.124968D+01
      2   0.938365D-01 -0.571749D+00 -0.126084D+01  0.168912D+01  0.188000D+00
      3  -0.114057D+01  0.203290D+00  0.168912D+01 -0.206004D+01 -0.931646D+00
                71            72            73            74            75 
      1   0.188000D+00 -0.931646D+00  0.863922D-01  0.383393D+00 -0.974863D+00
      2   0.225834D+01 -0.205104D+01  0.383393D+00  0.353902D+00  0.650584D-01
      3  -0.205104D+01  0.816392D+01 -0.974863D+00  0.650584D-01  0.104428D+01
                76            77            78            79            80 
      1   0.118198D+01  0.390281D+00  0.732190D-01 -0.147461D+01 -0.891355D-01
      2   0.390281D+00  0.913900D-01 -0.103146D+01 -0.891355D-01 -0.121353D+01
      3   0.732190D-01 -0.103146D+01  0.163279D+01  0.139681D+00  0.241118D+00
                81            82            83            84            85 
      1   0.139681D+00  0.837968D+00 -0.102137D+01  0.188074D+00 -0.139735D+01
      2   0.241118D+00 -0.102137D+01  0.990205D+00  0.201814D+00  0.488120D+00
      3  -0.802633D+01  0.188074D+00  0.201814D+00  0.462279D+00  0.560139D-01
                86            87            88            89            90 
      1   0.488120D+00  0.560139D-01  0.888626D+00  0.859226D-01  0.313552D+00
      2  -0.826668D+01 -0.567444D+00  0.859226D-01  0.522529D+00 -0.903541D+00
      3  -0.567444D+00 -0.946272D+00  0.313552D+00 -0.903541D+00 -0.463198D+00
                91            92            93            94            95 
      1  -0.274359D+01  0.162211D+01  0.990187D+00  0.335629D+01 -0.557690D+00
      2   0.162211D+01 -0.119344D+01  0.636114D-02 -0.557690D+00  0.377729D+01
      3   0.990187D+00  0.636114D-02 -0.323209D+00 -0.945232D+00 -0.832326D+00
                96            97            98            99           100 
      1  -0.945232D+00  0.177484D+00 -0.117542D+00  0.203939D+00 -0.615948D+01
      2  -0.832326D+00 -0.117542D+00 -0.864219D+00  0.760186D+00  0.208908D+01
      3   0.134332D+01  0.203939D+00  0.760186D+00 -0.131330D+01 -0.676409D+00
               101           102           103           104           105 
      1   0.208908D+01 -0.676409D+00  0.188734D+01 -0.145676D+01 -0.890781D-01
      2  -0.293915D+01 -0.939538D-01 -0.145676D+01  0.128744D+01  0.248915D-01
      3  -0.939538D-01 -0.103214D+01 -0.890781D-01  0.248915D-01  0.491822D+00
               106           107           108           109           110 
      1  -0.157017D+01  0.196564D+00 -0.276908D+00  0.434580D+00  0.717041D+00
      2   0.196564D+00 -0.468687D+00  0.530438D+00  0.717041D+00  0.810247D+00
      3  -0.276908D+00  0.530438D+00 -0.325089D+00  0.467721D+00  0.374032D+00
               111           112           113           114           115 
      1   0.467721D+00  0.754219D+00  0.175896D+00  0.696999D-01  0.802561D+00
      2   0.374032D+00  0.175896D+00  0.398372D+01  0.235304D+01  0.341746D+00
      3   0.135813D+01  0.696999D-01  0.235304D+01  0.273004D+01  0.649382D+00
               116           117           118           119           120 
      1   0.341746D+00  0.649382D+00 -0.235706D+01 -0.600677D+00  0.129515D+01
      2   0.379519D+01  0.342706D+01 -0.600677D+00 -0.718231D+00  0.383319D+00
      3   0.342706D+01  0.392658D+01  0.129515D+01  0.383319D+00 -0.149482D+01
               121           122           123           124           125 
      1  -0.150298D+01 -0.102995D+01  0.966104D+00  0.327984D+01  0.898813D+00
      2  -0.102995D+01 -0.102736D+01  0.102860D+01  0.898813D+00  0.142599D+01
      3   0.966104D+00  0.102860D+01 -0.178194D+01 -0.252005D+01 -0.132277D+01
               126 
      1  -0.252005D+01
      2  -0.132277D+01
      3   0.420731D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.721695D+00  0.122190D+01 -0.147591D+01 -0.950950D+00 -0.587189D+01
      2   0.896106D+00  0.158553D+00  0.212717D+01  0.125805D+01 -0.894703D+00
      3  -0.249433D+01  0.104331D+00  0.531186D+00  0.454750D+01  0.804667D+01
                 6             7             8             9            10 
      1  -0.396662D+01 -0.869401D+00  0.123747D+01  0.627113D+01  0.903101D+00
      2   0.166883D+01 -0.208824D+01  0.504063D+00 -0.713734D+01  0.672377D+01
      3   0.918775D+00  0.115460D+01 -0.323725D+00 -0.180114D+00 -0.576013D+00
                11            12            13            14            15 
      1   0.262465D+00 -0.354020D+00 -0.238416D+01 -0.102266D+01  0.120234D+01
      2   0.245077D+00  0.340038D+01 -0.191030D+01 -0.173878D+00 -0.803738D+00
      3  -0.627117D+01 -0.149032D+01 -0.651879D-01 -0.226218D+01  0.184964D+01
                16            17            18            19            20 
      1   0.278856D+00  0.374769D+01  0.386705D+00  0.153558D+01  0.121012D+01
      2  -0.516350D+01  0.265890D-01  0.133308D+01 -0.100180D+02 -0.900417D+00
      3  -0.863362D+00 -0.148252D+00  0.295398D+00  0.655882D+01  0.157840D+01
                21            22            23            24            25 
      1  -0.283834D+01  0.264633D+01  0.605800D+01  0.442020D+01  0.693030D+00
      2  -0.347222D+01 -0.383026D+01 -0.387089D+00  0.384837D+01 -0.142850D+02
      3   0.477224D+00  0.541430D+01 -0.983689D+01 -0.207432D+01  0.311098D+01
                26            27            28            29            30 
      1   0.599085D+01 -0.643137D+01  0.249796D+01 -0.451718D+01 -0.242363D+01
      2   0.170155D+01  0.489181D+01  0.376281D+01 -0.286157D+01  0.598283D+01
      3  -0.165922D+01 -0.114625D+01  0.683989D+01 -0.129131D+02 -0.471389D+00
                31            32            33            34            35 
      1  -0.455067D+01  0.146045D+01 -0.229918D+01 -0.132586D+01  0.295063D+01
      2  -0.107575D+01  0.639592D+00  0.205892D-01  0.321530D+01  0.156525D+01
      3  -0.872112D+01  0.400543D+01  0.315893D+01 -0.195937D+01  0.152272D+01
                36            37            38            39            40 
      1   0.205090D+01 -0.542510D+00 -0.495292D-01 -0.340006D-01  0.144163D+01
      2  -0.600193D+01  0.150998D+01  0.201117D+01  0.273396D+01  0.196332D+01
      3  -0.175779D+01  0.693607D+01 -0.709273D+01 -0.181415D+01  0.121577D+01
                41            42            43            44            45 
      1   0.520616D+00 -0.197020D+01 -0.977603D+00  0.195535D+01 -0.224673D+01
      2   0.171841D+01 -0.523224D+01 -0.711651D+01 -0.406907D+01  0.113702D+02
      3   0.446677D+01 -0.220033D+01 -0.162688D+01 -0.329505D+01  0.422601D+01
                46            47            48            49            50 
      1  -0.150332D+01  0.418325D+00  0.235944D+01  0.104885D+01  0.684281D+01
      2  -0.542108D+00 -0.165249D+00  0.339318D+01  0.207503D+00  0.506914D+00
      3   0.112143D+02 -0.717453D+01  0.125684D+01  0.370306D+01  0.105818D+01
                51            52            53            54            55 
      1  -0.170701D+01  0.179347D+01  0.895536D+01  0.575804D+01 -0.683546D+00
      2   0.852355D+00 -0.333207D+01  0.642070D+00  0.141167D+00  0.160069D+01
      3  -0.127182D+01  0.164577D+01 -0.802540D+00 -0.288959D+01 -0.820987D+00
                56            57            58            59            60 
      1   0.123548D+01  0.414032D+01 -0.149988D+00 -0.271700D+01 -0.872542D+01
      2  -0.316138D+00  0.601340D+01  0.383019D+01  0.193576D+01 -0.553973D+01
      3  -0.706645D+01  0.984496D+00  0.467711D+01  0.164869D+02 -0.149755D+01
                61            62            63            64            65 
      1  -0.229558D+00  0.217577D+01  0.222664D+01 -0.125597D+00 -0.556814D+00
      2   0.215031D+01 -0.440605D+01  0.181171D+01 -0.487938D-02  0.125410D+00
      3  -0.796056D+00 -0.126443D+01  0.455083D+01 -0.747143D+00 -0.458328D+00
                66            67            68            69            70 
      1  -0.169483D+00  0.216371D+00 -0.142501D+01 -0.396550D+00 -0.199983D+00
      2   0.638392D+00  0.809260D+00  0.434148D-02  0.706691D+00 -0.286352D+01
      3   0.329441D+00  0.199403D+01 -0.212628D+00  0.318357D-01 -0.845790D+00
                71            72            73            74            75 
      1   0.370246D+01  0.881155D+00 -0.146301D+01 -0.674084D+00  0.604373D+00
      2   0.473409D+00 -0.129561D+01  0.195147D+01  0.287102D+00 -0.970043D+00
      3   0.948827D+00 -0.229838D+00  0.164102D+00 -0.762030D+00  0.663627D+00
                76            77            78            79            80 
      1  -0.439742D+00 -0.122394D+01  0.112511D+01  0.227293D+00  0.366160D+01
      2   0.108068D+01  0.156467D+01 -0.185331D+01 -0.409125D+01 -0.525121D+00
      3   0.379152D+00 -0.111086D+00 -0.120294D+01  0.674797D+00 -0.993161D+00
                81            82            83            84            85 
      1  -0.657025D+01  0.137944D+01 -0.388386D+00  0.645245D+00 -0.261483D+00
      2   0.878195D+01  0.359582D+00 -0.555858D+00  0.459488D+00 -0.887548D+00
      3   0.940429D-02 -0.369615D+01  0.150734D+01 -0.365835D+00  0.507264D+01
                86            87            88            89            90 
      1   0.451895D+01 -0.325100D+01  0.433824D+00 -0.392001D+00  0.761704D-01
      2   0.132718D+01  0.816968D+00 -0.867923D+00  0.875330D+00  0.636385D+00
      3  -0.911895D+01 -0.699158D+00 -0.123033D+01  0.352905D+00 -0.126534D+01
                91            92            93            94            95 
      1  -0.377156D+01  0.379075D+01  0.312044D+00  0.425786D+01 -0.296083D+01
      2  -0.376036D+01  0.260062D+01 -0.155269D+01  0.187049D+01 -0.299690D+01
      3  -0.877891D+01  0.846623D+01  0.153342D+01  0.103864D+02 -0.105361D+02
                96            97            98            99           100 
      1  -0.204050D+01  0.373952D-01  0.768311D+00  0.112792D+01  0.240023D+01
      2   0.190812D+01 -0.190614D+01  0.167031D+01  0.351934D-01  0.888395D+00
      3  -0.687577D+00  0.929575D+00 -0.445765D-01 -0.696924D+00 -0.134096D+02
               101           102           103           104           105 
      1  -0.881384D+00  0.256316D+01 -0.423283D-01  0.763644D+00 -0.974436D+00
      2  -0.427751D+00  0.206945D+01 -0.178311D-01  0.437174D+00 -0.788259D+00
      3   0.775572D-01 -0.158793D+01  0.240074D+01 -0.204682D+01 -0.573709D+00
               106           107           108           109           110 
      1   0.293915D+00 -0.311944D+00  0.805572D+00 -0.276569D+00 -0.963879D+00
      2  -0.410591D+00 -0.464126D+00  0.370683D+00 -0.356347D+00 -0.117629D+00
      3  -0.358946D+01  0.988436D-02  0.186507D+00  0.858951D+00  0.801616D+00
               111           112           113           114           115 
      1  -0.288939D+01  0.562095D-01 -0.334575D+01 -0.592019D+01 -0.106267D+01
      2  -0.215719D+00 -0.590890D+00 -0.776843D+00 -0.855951D+00 -0.198856D+01
      3   0.308527D+00  0.271585D+01  0.121313D+01  0.600515D+00  0.196999D+01
               116           117           118           119           120 
      1  -0.424941D+01 -0.752928D+01  0.371510D+00 -0.107788D+00 -0.439819D+00
      2  -0.103206D+01 -0.902556D+00 -0.403117D+01 -0.146944D+01  0.515357D+01
      3   0.151296D+01  0.229227D+01 -0.114527D+01 -0.217514D+01  0.103325D+01
               121           122           123           124           125 
      1   0.132096D+00 -0.211291D+00 -0.125769D+01  0.353205D-02  0.118591D+01
      2  -0.270691D+01 -0.290462D+01  0.525129D+01  0.611747D+01  0.394452D+01
      3  -0.109005D+01 -0.205911D+01  0.262644D+01  0.142553D+01  0.418365D+01
               126 
      1   0.180501D+01
      2  -0.130135D+02
      3  -0.339457D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.189858D+02 -0.174573D+01 -0.179646D+01  0.447264D+01  0.158945D+02
      2   0.896524D+01  0.443731D+01 -0.153669D+01 -0.358780D+00 -0.218542D+02
      3   0.100205D+02 -0.269159D+01  0.333315D+01 -0.411386D+01  0.595973D+01
      4   0.100094D+01  0.593410D+00  0.149204D+01  0.816427D+01 -0.689171D+01
      5  -0.606127D+00  0.545659D+00 -0.107019D+01  0.158199D+01  0.997059D+00
      6   0.285731D+01  0.238667D+01  0.245575D+01  0.158222D+01 -0.412521D+00
                 6             7             8             9            10 
      1  -0.582710D+00  0.362824D+01 -0.796422D+00  0.129811D+02 -0.421158D+01
      2  -0.234377D+01 -0.235105D+01 -0.923131D+00  0.427595D+01  0.402186D+01
      3   0.292648D+01 -0.127719D+01  0.171955D+01 -0.172570D+02  0.189719D+00
      4   0.714983D+00  0.440723D+01  0.292513D+01  0.583990D+01 -0.414998D+01
      5   0.335672D+01  0.498936D+01  0.268526D+01 -0.109176D+02  0.649284D+00
      6   0.279062D+01  0.262142D+01  0.160815D+01 -0.230733D+01 -0.115083D+01
                11            12            13            14            15 
      1  -0.206265D+01 -0.410014D+00  0.965260D+00  0.501266D+01 -0.521803D+01
      2   0.387166D+01 -0.142270D+01  0.118300D+01 -0.429181D+01 -0.352443D+01
      3  -0.180901D+01  0.183271D+01 -0.214826D+01 -0.720858D+00  0.874246D+01
      4   0.253848D+01 -0.297122D+01 -0.800706D+01 -0.136793D+00  0.169848D+01
      5  -0.101121D+01  0.194041D+01  0.447398D-01  0.160421D+01 -0.196997D+01
      6  -0.231933D+01  0.139437D+00  0.226723D+01  0.121952D+01 -0.938273D+01
                16            17            18            19            20 
      1  -0.382695D+01 -0.375855D+01  0.336774D+01 -0.173494D+01 -0.544413D+01
      2  -0.133781D+01 -0.443251D+01  0.123471D+02 -0.210467D+01  0.848675D+01
      3   0.516476D+01  0.819106D+01 -0.157149D+02  0.383961D+01 -0.304262D+01
      4  -0.287214D+01 -0.242498D+01 -0.439979D+01  0.708997D+01 -0.154192D+02
      5  -0.184894D+01 -0.253412D+01  0.777839D+01 -0.155674D+01  0.665259D+01
      6  -0.308268D+01  0.335341D+00  0.561113D+01  0.124042D+01  0.380592D+00
                21            22            23            24            25 
      1  -0.153580D+01  0.448319D+01 -0.107236D+01  0.916377D+00 -0.322389D+01
      2  -0.322893D+01 -0.128453D+01 -0.114505D+02 -0.544790D+01  0.913177D+00
      3   0.476473D+01 -0.319866D+01  0.125229D+02  0.453152D+01  0.231071D+01
      4   0.559371D+01 -0.218008D+02  0.204673D+02 -0.303622D+01  0.926049D+01
      5  -0.843565D+01  0.101287D+02 -0.393707D+01  0.718100D+01 -0.200152D+01
      6   0.313487D+01 -0.118586D+01  0.416179D+01 -0.769960D+01  0.992810D+00
                26            27            28            29            30 
      1   0.320938D+01 -0.417271D+01  0.297518D+02  0.369965D+01 -0.491471D+01
      2   0.268414D+01 -0.217887D+01 -0.182667D+02  0.759749D+00  0.733744D+01
      3  -0.589352D+01  0.635158D+01 -0.114851D+02 -0.445940D+01 -0.242272D+01
      4   0.149138D+01  0.283527D+01  0.164408D+02  0.163430D+02 -0.545390D+01
      5   0.185495D+01  0.298237D+01 -0.104898D+02 -0.405064D+01  0.138706D+02
      6   0.351806D+01  0.507406D+01 -0.290015D+01 -0.195321D+01  0.420728D+01
                31            32            33            34            35 
      1  -0.511933D+01  0.666680D+01  0.205692D+01 -0.619350D-01 -0.300232D+00
      2   0.697097D+01  0.640016D+00 -0.159326D+00  0.215572D+01  0.543499D+00
      3  -0.185165D+01 -0.730682D+01 -0.189760D+01 -0.209378D+01 -0.243268D+00
      4   0.144216D+02  0.898462D+01 -0.212370D+01 -0.494875D+01 -0.425537D+01
      5  -0.159237D+01 -0.380477D+01  0.148652D+01  0.133599D+02  0.573632D+01
      6  -0.788201D+00 -0.214259D+01  0.744702D+01  0.264816D+01  0.592665D+01
                36            37            38            39            40 
      1   0.559453D+00  0.483188D+02 -0.235233D+01  0.697636D+01 -0.122569D+02
      2  -0.958601D+01 -0.248944D+02  0.913559D+00 -0.356539D+01  0.790644D+01
      3   0.902656D+01 -0.234244D+02  0.143877D+01 -0.341097D+01  0.435050D+01
      4   0.660230D+01  0.207633D+01  0.992955D+01  0.452431D+01  0.704389D+01
      5  -0.139371D+02  0.100250D+02  0.325836D+01  0.481139D+01  0.346684D+01
      6  -0.427469D+01  0.158554D+01  0.515557D+00 -0.102655D+01  0.241746D+01
                41            42            43            44            45 
      1   0.121532D+01  0.283451D+01  0.105234D+02  0.211284D+01 -0.375183D+01
      2   0.398453D+01 -0.852053D+00 -0.723237D+01 -0.437320D+00 -0.179246D+01
      3  -0.519985D+01 -0.198246D+01 -0.329104D+01 -0.167552D+01  0.554430D+01
      4  -0.326055D+01  0.489949D+01  0.624320D+01  0.599075D+01 -0.805272D+01
      5   0.485494D+01 -0.888759D+01  0.120793D+01 -0.770419D+01  0.201877D+02
      6   0.181678D+01  0.127885D+01 -0.183543D+01  0.153185D+01  0.563062D+01
                46            47            48            49            50 
      1   0.277240D+00  0.338218D+01 -0.246150D+01  0.168245D+01 -0.125694D+02
      2  -0.279377D+01 -0.120586D+01  0.268781D+01 -0.136829D+01  0.231650D+02
      3   0.251653D+01 -0.217631D+01 -0.226307D+00 -0.314157D+00 -0.105956D+02
      4   0.132246D+02 -0.192436D+01  0.100316D+01  0.382051D+01 -0.171164D+01
      5  -0.147122D+01 -0.639784D+00  0.596421D+01 -0.596427D+00 -0.166105D+00
      6   0.157167D+01 -0.687020D+00 -0.530879D+01 -0.371181D+01 -0.109272D+02
                51            52            53            54            55 
      1   0.757085D+01 -0.300415D+00  0.918166D+01  0.513272D+01  0.217116D+02
      2  -0.589477D+01  0.211031D+01 -0.825152D+01 -0.880396D+01 -0.745388D+01
      3  -0.167608D+01 -0.180989D+01 -0.930144D+00  0.367124D+01 -0.142577D+02
      4  -0.138330D+01  0.236835D+01  0.121543D+01 -0.199357D+01 -0.237345D+02
      5   0.102868D+01  0.463637D+01  0.556091D+00 -0.110738D+01  0.877046D+01
      6  -0.208845D+00 -0.418835D+01 -0.673691D+01 -0.131633D+02 -0.258257D+01
                56            57            58            59            60 
      1  -0.881957D+01  0.313674D+01 -0.826484D+01 -0.913828D+01  0.152860D+01
      2  -0.236308D+01 -0.230970D+01 -0.236464D+01  0.299510D+02 -0.319249D+00
      3   0.111826D+02 -0.827034D+00  0.106295D+02 -0.208127D+02 -0.120935D+01
      4   0.249894D+02 -0.543396D+01  0.285152D+02 -0.437125D+02  0.697231D+01
      5  -0.623033D+01  0.123447D+02 -0.564234D+01  0.897000D+01 -0.125185D+02
      6   0.183420D+01 -0.562308D+01  0.394496D+01 -0.509820D+01  0.130430D+02
                61            62            63            64            65 
      1   0.368188D+01  0.144903D+01 -0.819441D+00  0.580626D+00  0.460781D+00
      2  -0.227250D+01 -0.125740D+01 -0.145744D+01 -0.405021D+01 -0.124837D+01
      3  -0.140938D+01 -0.191632D+00  0.227688D+01  0.346959D+01  0.787588D+00
      4  -0.454128D+01  0.461069D+01 -0.120563D+02  0.121476D+01  0.220305D+01
      5   0.133318D+02 -0.119289D+02  0.930268D+01 -0.260280D+01 -0.159008D+01
      6  -0.612146D+01  0.114492D+02 -0.563119D+01 -0.161428D+01 -0.555370D+00
                66            67            68            69            70 
      1  -0.171617D+00 -0.163870D+00 -0.430137D+01  0.386489D+01  0.124789D+01
      2   0.198324D+01 -0.110831D+01 -0.514009D+00  0.263361D+01  0.224792D+01
      3  -0.181163D+01  0.127218D+01  0.481538D+01 -0.649850D+01 -0.349581D+01
      4  -0.105435D+01  0.373606D+01  0.183886D+01 -0.184516D+01 -0.126755D+01
      5   0.703914D+01 -0.197788D+01 -0.184511D+01  0.260280D+01  0.606012D+01
      6   0.602293D+00 -0.138093D+01 -0.505635D+01  0.878027D+01  0.167593D+01
                71            72            73            74            75 
      1   0.301110D+01 -0.165135D+02  0.520664D+00 -0.620247D+00  0.395392D+01
      2   0.483396D+01 -0.171990D+02 -0.354459D+01 -0.191248D-01 -0.819953D-01
      3  -0.784506D+01  0.337126D+02  0.302393D+01  0.639371D+00 -0.387192D+01
      4  -0.152760D+01  0.233434D+01 -0.744310D+00  0.325400D+00  0.707681D+00
      5   0.176567D+01 -0.712194D+01  0.839808D+00 -0.479293D+00  0.418334D+01
      6   0.642713D+01 -0.800861D+01  0.238189D-01 -0.845549D+00 -0.689163D+00
                76            77            78            79            80 
      1  -0.238367D+01 -0.444294D+01  0.194599D+01  0.471209D+01  0.209347D+00
      2   0.110317D+01  0.189312D+01  0.260480D+01 -0.181925D+01  0.186677D+01
      3   0.128050D+01  0.254982D+01 -0.455079D+01 -0.289283D+01 -0.207611D+01
      4  -0.674404D+00 -0.704210D+00  0.248514D+01  0.138852D+01  0.228068D+01
      5  -0.662590D+00  0.199918D+01 -0.317071D+01  0.438734D+01 -0.509202D+00
      6   0.175175D-01 -0.932147D+00  0.385549D+01 -0.160842D+00  0.438400D+01
                81            82            83            84            85 
      1  -0.176296D+02 -0.158888D+01  0.478369D+01  0.145590D+00  0.549951D+01
      2  -0.130932D+02  0.411754D+01 -0.437431D+01  0.216138D+00 -0.414691D+01
      3   0.307228D+02 -0.252866D+01 -0.409385D+00 -0.361728D+00 -0.135260D+01
      4  -0.211515D+01  0.728171D+00  0.387989D+01 -0.123710D+00  0.432497D+01
      5   0.146023D+02 -0.503138D+00  0.735480D+00  0.564329D+00  0.911370D+00
      6   0.549456D+01  0.104023D+00 -0.728485D+00 -0.857959D+00 -0.426277D+00
                86            87            88            89            90 
      1  -0.217722D+02 -0.205220D+01 -0.134998D+01  0.399354D+00 -0.479806D+01
      2   0.351199D+02  0.138664D+01  0.115685D+01 -0.146469D+01  0.275676D+01
      3  -0.133477D+02  0.665560D+00  0.193123D+00  0.106533D+01  0.204130D+01
      4   0.147209D+02  0.837800D+00 -0.701367D+00 -0.122410D+01  0.104194D+01
      5   0.240865D+00  0.160146D+01  0.331649D+00  0.175816D+01  0.761056D+00
      6   0.549286D+01  0.564212D+01 -0.820034D+00  0.566639D+01  0.229376D+00
                91            92            93            94            95 
      1  -0.106143D+02  0.394974D+01  0.998303D+00  0.924247D+01 -0.787848D+01
      2   0.873048D+01 -0.146283D+01 -0.262535D+01 -0.547289D+01  0.931343D+01
      3   0.188385D+01 -0.248691D+01  0.162705D+01 -0.376957D+01 -0.143494D+01
      4  -0.146062D+01 -0.204767D+01  0.193247D+01  0.446485D+01  0.998416D+01
      5   0.286487D+01  0.462050D+00 -0.369498D+01 -0.234943D+01 -0.181028D+01
      6   0.210401D+01  0.392850D+00  0.228115D+00 -0.217993D+01 -0.435538D+01
                96            97            98            99           100 
      1   0.575164D+00  0.102070D+01  0.252094D+01 -0.294565D+01  0.112740D+02
      2  -0.363187D+00 -0.832116D+00 -0.207639D+01  0.113910D+01 -0.813808D+00
      3  -0.211977D+00 -0.188580D+00 -0.444544D+00  0.180655D+01 -0.104602D+02
      4  -0.390025D+01  0.274400D+00 -0.123263D+01  0.131069D+01 -0.199850D+02
      5   0.392746D+01  0.898382D+00  0.143015D+01 -0.665207D+00 -0.735675D+00
      6   0.357939D+01  0.586103D-01  0.340732D+01 -0.371951D+01 -0.142665D+01
               101           102           103           104           105 
      1   0.847574D+00  0.264248D+01 -0.117097D+01  0.825776D+00  0.435696D-02
      2  -0.671064D+01 -0.575977D+00 -0.281066D+01  0.299913D+01 -0.298684D+00
      3   0.586306D+01 -0.206650D+01  0.398163D+01 -0.382491D+01  0.294327D+00
      4   0.127758D+02 -0.180573D+01  0.952726D+01 -0.579782D+01  0.166987D+00
      5   0.563379D+00  0.254583D+01  0.853252D+00 -0.196450D+00 -0.994324D+00
      6  -0.117183D+01 -0.394556D+01 -0.626173D+00  0.422907D+00  0.240970D+01
               106           107           108           109           110 
      1   0.112829D+01 -0.147584D+00  0.333150D-01 -0.101004D+01 -0.223148D+01
      2  -0.382070D+00 -0.746023D+00 -0.240687D+00  0.114700D+01  0.172181D+01
      3  -0.746215D+00  0.893607D+00  0.207372D+00 -0.136959D+00  0.509675D+00
      4  -0.437042D+01  0.991659D+00 -0.130146D+01  0.559833D+00  0.375221D+01
      5   0.238819D+01 -0.942333D+00  0.290197D+00  0.696458D+00  0.186281D+01
      6  -0.729881D+00  0.252335D+01 -0.949149D+00  0.258238D+01  0.335529D+01
               111           112           113           114           115 
      1  -0.211996D+01 -0.162598D+01 -0.127688D+02 -0.835999D+01 -0.202906D+01
      2   0.634814D+00  0.118127D+01  0.146640D+02  0.820023D+01  0.556036D+00
      3   0.148515D+01  0.444702D+00 -0.189523D+01  0.159761D+00  0.147302D+01
      4   0.271083D+01  0.393854D+01 -0.178573D+01 -0.745824D+00  0.289718D+01
      5   0.196840D+01  0.100968D+01 -0.118996D+01 -0.199544D+01  0.232209D+01
      6   0.508432D+01  0.614255D+00  0.157748D+02  0.154243D+02  0.275249D+01
               116           117           118           119           120 
      1  -0.127076D+02 -0.137041D+02  0.127258D+02  0.373440D+01 -0.716646D+01
      2   0.104045D+02  0.668740D+01 -0.656765D+01 -0.159757D+01  0.384886D+01
      3   0.230307D+01  0.701675D+01 -0.615815D+01 -0.213683D+01  0.331760D+01
      4  -0.106025D+01  0.431514D+00  0.592549D+01  0.481815D+01 -0.389294D+01
      5  -0.177655D+01 -0.110375D+01 -0.792279D+01 -0.285059D+01  0.948967D+01
      6   0.191164D+02  0.199456D+02 -0.239469D+01 -0.604359D+00  0.159904D+01
               121           122           123           124           125 
      1   0.584913D+01  0.249064D+01 -0.323700D+01 -0.137887D+02 -0.253554D+01
      2  -0.184796D+01  0.565396D-01  0.682625D+00  0.844873D+01  0.110383D+01
      3  -0.400118D+01 -0.254718D+01  0.255438D+01  0.533996D+01  0.143171D+01
      4   0.778637D+01  0.619155D+01 -0.678309D+01 -0.813787D+01 -0.778078D+01
      5  -0.517557D+01 -0.571651D+01  0.835186D+01  0.151987D+02  0.779511D+01
      6  -0.258682D+01 -0.273581D+01  0.456164D+01  0.437567D+01  0.360029D+01
               126 
      1   0.791329D+01
      2  -0.720215D+01
      3  -0.711145D+00
      4   0.952301D+01
      5  -0.230941D+02
      6  -0.670320D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.177208D+01      0.450418D+01      0.150243D+02
   x         -0.140490D+01     -0.357091D+01     -0.119113D+02
   y          0.825060D+00      0.209709D+01      0.699515D+01
   z          0.696985D+00      0.177156D+01      0.590928D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.547500D+02      0.811311D+01      0.902705D+01
   aniso      0.138511D+02      0.205252D+01      0.228374D+01
   xx         0.600536D+02      0.889902D+01      0.990150D+01
   yx        -0.174617D+01     -0.258755D+00     -0.287904D+00
   yy         0.574969D+02      0.852016D+01      0.947996D+01
   zx        -0.203351D+01     -0.301335D+00     -0.335280D+00
   zy        -0.255420D+01     -0.378493D+00     -0.421131D+00
   zz         0.466994D+02      0.692014D+01      0.769969D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.598466D+02      0.886834D+01      0.986736D+01
   aniso      0.143555D+02      0.212727D+01      0.236690D+01
   xx         0.652613D+02      0.967072D+01      0.107601D+02
   yx        -0.181358D+01     -0.268745D+00     -0.299020D+00
   yy         0.627572D+02      0.929966D+01      0.103473D+02
   zx        -0.204236D+01     -0.302646D+00     -0.336739D+00
   zy        -0.277160D+01     -0.410708D+00     -0.456975D+00
   zz         0.515212D+02      0.763465D+01      0.849470D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.17951951         -1.26322649          0.79520561
     6          0.56296708         -0.32736233          0.73998527
     6          1.28956525          0.12530081         -2.03032785
     8          1.33973685          2.56629304         -2.68368791
     8         -3.05042541         -1.65104598          3.30547719
     7          0.76869236          2.01188673          2.19635093
     8          1.69407911         -1.56755846         -3.48584197
     1          1.78912746         -1.84155660          1.43804261
     1         -3.41206425          0.18252343         -0.00730789
     1         -2.33494878         -2.96740208         -0.35597159
     1          0.97142327          3.50125853         -1.11767282
     1         -0.50562739          2.00724919          3.62736022
     1          2.50918904          2.22141094          2.96242428
     1         -2.30315643         -3.17648985          3.96191848

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.177208D+01      0.450418D+01      0.150243D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.177208D+01      0.450418D+01      0.150243D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.547500D+02      0.811311D+01      0.902705D+01
   aniso      0.138511D+02      0.205252D+01      0.228374D+01
   xx         0.481301D+02      0.713214D+01      0.793558D+01
   yx         0.212314D+01      0.314616D+00      0.350058D+00
   yy         0.570645D+02      0.845609D+01      0.940867D+01
   zx        -0.492878D+01     -0.730370D+00     -0.812646D+00
   zy         0.113677D+01      0.168451D+00      0.187427D+00
   zz         0.590553D+02      0.875110D+01      0.973691D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.598466D+02      0.886834D+01      0.986736D+01
   aniso      0.143555D+02      0.212727D+01      0.236690D+01
   xx         0.529803D+02      0.785087D+01      0.873527D+01
   yx         0.212306D+01      0.314605D+00      0.350045D+00
   yy         0.623690D+02      0.924213D+01      0.102833D+02
   zx        -0.514494D+01     -0.762402D+00     -0.848287D+00
   zy         0.123568D+01      0.183108D+00      0.203735D+00
   zz         0.641904D+02      0.951203D+01      0.105836D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U22-16\Freq\RM11\Gen\C3H7N1O3\PIERPA\12-Aug-2021\0\\#P M1
 1/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Guess=R
 ead Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,-1.143775,-0.6740
 95,-0.437636\C,-0.192819,0.114958,0.470853\C,1.243923,-0.263455,0.0875
 63\O,1.874804,0.673356,-0.628783\O,-2.504247,-0.351006,-0.184987\N,-0.
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 THE ONLY DIFFERENCE BETWEEN ECCENTRICS AND JOGGERS
 IS THAT JOGGERS WEAR SWEATBANDS WHEN THEY RUN IN THE RAIN.
 Job cpu time:       0 days  1 hours 24 minutes  3.5 seconds.
 Elapsed time:       0 days  0 hours 10 minutes 33.0 seconds.
 File lengths (MBytes):  RWF=    210 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:02:12 2021.
